SCHEMBL1002129

SCHEMBL1002129

CC(C)(C)c1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
METAP2 P50579 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
BCAT2 O15382 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
CA2 P00918 1/20 0.43
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
CTNNB1 P35222 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
TNIK Q9UKE5 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
Bromide SCHEMBL6851251 0.98 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRMAPTHPGD
Potassium SCHEMBL30882886 0.98 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRMAPTHPGD
Hydrochloric Acid SCHEMBL20576674 0.98 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRMAPTHPGD
Salicylamide SCHEMBL28211925 0.91 KDM4E (0.68) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL8802426 0.85 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL28004742 0.85 KDM4E (0.48) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL23672393 0.83 KDM4E (0.47) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL28463324 0.83 KDM4E (0.47) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL29852134 0.83 KDM4E (0.47) ALDH1A1KDM4ETSHRMAPTHPGD
SCHEMBL1148444 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447391-B A kind of preparation method of di-2-ethylhexylphosphine oxide amide derivatives 苏州波菲特新材料科技有限公司 2016-07-06 CN claimed
CN-104447391-A Methylenebisamide derivative and preparation method thereof SUZHOU PERFECT NEW MATERIAL TECHNOLOGY CO LTD 2015-03-25 CN claimed
EP-2844637-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF PharmAxis Ltd (AU) 2015-03-11 EP claimed
WO-2013163675-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF PHARMAXIS LTD. (AU) 2013-11-07 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-0811008-B1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2003-10-01 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-12286653-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2025-04-29 US disclosed
CN-118459492-A Mixed type amidoaluminoxane complex and preparation method and application thereof 江苏爱姆欧光电材料有限公司 2024-08-09 CN disclosed
CN-118290448-A Mixed amide zinc-oxygen alkane complex and preparation method and application thereof 江苏爱姆欧光电材料有限公司 2024-07-05 CN disclosed
EP-0262188-B1 STEROIDS COMPRISING A SPIRANIC CYCLE IN POSITION 17, PREPARATION PROCESS AND UTILIZATION THEREOF ROUSSEL-UCLAF (FR) 1990-11-14 EP disclosed
EP-0262188-A1 STEROIDS COMPRISING A SPIRANIC CYCLE IN POSITION 17, PREPARATION PROCESS AND UTILIZATION THEREOF. ROUSSEL UCLAF (FR) 1988-04-06 EP disclosed
WO-1987005908-A1 STEROIDS COMPRISING A SPIRANIC CYCLE IN POSITION 17, PREPARATION PROCESS AND UTILIZATION THEREOF ROUSSEL-UCLAF (FR) 1987-10-08 WO disclosed
US-4590196-A NON-OPIATE BRISTOL-MYERS COMPANY (US) 1986-05-20 US disclosed