SCHEMBL13847310

SCHEMBL13847310

Cc1c(N)c(=O)[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.62
DDO Q99489 1/20 0.62
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RAB9A P51151 1/20 0.56
CYP1A2 P05177 3/20 0.53
PARP1 P09874 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TNKS2 Q9H2K2 2/20 0.53
LMNA P02545 2/20 0.53
AHR P35869 1/20 0.53
TNKS O95271 1/20 0.53
GPR3 P46089 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
PARP15 Q460N3 1/20 0.53
HPGD P15428 2/20 0.51

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
SCHEMBL7812029 0.89 DAO (0.54) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL6220014 0.82 DAO (0.69) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL6343134 0.82 KDM4E (0.62) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL31018132 0.77 DAO (0.62) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL21977684 0.77 DAO (0.62) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL9715631 0.77 KDM4E (0.69) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL28784055 0.77 DAO (0.62) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL7567951 0.77 DAO (0.62) DAODDOKDM4EALDH1A1SMN1; SMN2
SCHEMBL3360017 0.77 DAO (1.00) DAODDOKDM4EALDH1A1RAB9A
SCHEMBL30623756 0.77 KDM4E (0.69) DAODDOKDM4EALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101705084-B Multicolour rare earth nano particle and preparation method thereof UNIV SOUTHEAST 2013-11-27 CN disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009050235-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009034029-A2 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-19 WO disclosed