SCHEMBL969080

SCHEMBL969080

O=[C]Nc1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
FLT3 P36888 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TYR P14679 1/20 0.43
DAO P14920 1/20 0.43
AKR1B1 P15121 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 6/20 0.42
CA2 P00918 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 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
SCHEMBL2853762 0.81 CYP2A6 (0.44) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL28643561 0.77 CYP2A6 (0.47) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL2853761 0.77 CYP2A6 (0.41) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL1419067 0.75 KDM4E (0.45) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL7699924 0.74 FLT3 (0.48) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL27904021 0.73 CYP2A6 (0.53) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL14635507 0.73 CYP2A6 (0.44) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL10823736 0.72 NPC1 (0.54) FLT3SMN1; SMN2HPGDMAOBKDM4E
Hydrochloric Acid SCHEMBL28078666 0.72 CYP2A6 (0.43) CYP2A6FLT3SMN1; SMN2TYRDAO
SCHEMBL24508880 0.71 RAB9A (0.49) CYP2A6FLT3SMN1; SMN2HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
WO-2023286855-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT クミアイ化学工業株式会社 2023-01-19 WO disclosed
EP-2217602-B1 1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2018-08-29 EP disclosed
US-8822479-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8809348-B2 6-arylmethyl substituted pyrazolo[3,4-d]pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8642605-B2 6-cyclylmethyl-and 6-alkylmethyl-substituted pyrazolepyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
EP-2298773-B1 6-Cyclomethyl and 6-alkylmethyl substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-06-19 EP disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
WO-2003097595-A1 LACTAMS USED AS ANTI-VIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-11-27 WO disclosed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US disclosed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US disclosed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP disclosed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
EP-0977743-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-02-09 EP disclosed
WO-1998049152-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed