SCHEMBL8024740

SCHEMBL8024740

Brc1ccc(-c2c[c]ccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 1/20 0.54
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.36
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
METAP2 P50579 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17200847 0.88 ALDH1A1 (0.37) ALDH1A1MAPK1MEN1CYP1A2KMT2A
SCHEMBL2448213 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2CA12CA2
SCHEMBL24983 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2CA12CA2
SCHEMBL1510123 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL610112 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2960 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL2753352 0.80 IDO1 (0.32) ALDH1A1MAPK1METAP2
SCHEMBL5357790 0.78 IDO1 (0.42) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL509984 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL147390 0.77 RAB9A (0.36) ALDH1A1NPC1RAB9ANFKB1NFKB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN claimed
EP-0805795-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1997-11-12 EP claimed
WO-1996022965-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-08-01 WO claimed
CN-116157399-A Novel compound for capping layer and organic light-emitting element comprising same 东进世美肯株式会社 2023-05-23 CN disclosed
CN-109187406-A A kind of differential protein detection method of 1- (4- bromophenyl) -5- phenyl -1H- triazole and serum effect 海南师范大学 2019-01-11 CN disclosed
CN-109046463-A Bidentate azepine Cabbeen Mn catalyst and preparation method thereof and alkylation synthesis application 中山大学 2018-12-21 CN disclosed
CN-106892872-A A kind of synthetic method of 2- (4- bromophenyls) -4- xenyl -6- phenyl pyrimidines 西安瑞联新材料股份有限公司 2017-06-27 CN disclosed
CN-104736541-B Novel compound and organic electroluminescent element comprising same 株式会社斗山 2017-05-31 CN disclosed
CN-106588796-A Aromatic primary diamine containing triaryl s-triazine structure and ether bond and preparation method thereof 大连理工大学 2017-04-26 CN disclosed
CN-106458961-A Organic compound and organic electroluminescent element comprising same 株式会社斗山 2017-02-22 CN disclosed
CN-103732719-B The manufacture method of phosphorescent light-emitting materials, phosphorescent light-emitting materials and phosphorescence luminous element KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORP. (JP) 2015-12-02 CN disclosed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 CN disclosed
CN-1708550-A Flame-resistant vinyl chloride based resin composition and formed product therefrom MITSUBISHI PLASTICS INC (JP) 2005-12-14 CN disclosed
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US disclosed
EP-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP disclosed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 US disclosed
EP-0805795-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1997-11-12 EP disclosed
WO-1996022965-A1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-08-01 WO disclosed
US-5527816-A AGRICULTURAL USE ROHM AND HAAS COMPANY (US) 1996-06-18 US disclosed
EP-0104863-B1 LIGHT-SENSITIVE PLANOGRAPHIC PRINTING PLATE FUJI PHOTO FILM CO., LTD. (JP) 1989-05-03 EP disclosed