SCHEMBL1738241

SCHEMBL1738241

Cc1c(C)n(Cc2cccc(F)c2)c2c(-c3ccccc3)nccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.44
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAPT P10636 4/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HTT P42858 3/20 0.39
MCL1 Q07820 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPARG P37231 1/20 0.38
TDO2 P48775 1/20 0.38
MEN1 O00255 1/20 0.38

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
Hydrochloric Acid SCHEMBL1736922 0.99 FABP4 (0.43) FABP4KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1735606 0.93 MAPT (0.43) FABP4KDM4ECYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL1738352 0.92 MAPT (0.43) FABP4KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1738536 0.92 GRIN1 (0.41) FABP4KDM4ECYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL1736852 0.91 GRIN1 (0.40) FABP4KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1738189 0.90 ALDH1A1 (0.40) FABP4KDM4ECYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL1737359 0.89 ALDH1A1 (0.39) FABP4KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1739546 0.88 TP53 (0.47) FABP4ATMCYP11B1CYP11B2MAPT
SCHEMBL1739105 0.88 HTT (0.40) FABP4KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL1737517 0.88 MAPT (0.49) KDM4ECYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed