SCHEMBL1737172

SCHEMBL1737172

Cc1cccc(Cn2c(C)c(C)c3ccnc(-c4ccc(Cl)cc4)c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
TP53 P04637 3/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.40
FABP4 P15090 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CASR P41180 1/20 0.39
HRH1 P35367 1/20 0.39
MCL1 Q07820 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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 SCHEMBL1736803 0.99 MAPT (0.44) MAPTTP53POLBKDM4EMEN1
SCHEMBL1735469 0.92 POLB (0.44) MAPTTP53POLBKDM4EMEN1
SCHEMBL1738578 0.92 MCL1 (0.42) MAPTTP53POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL1738998 0.91 POLB (0.44) MAPTTP53POLBKDM4EMEN1
Hydrochloric Acid SCHEMBL1736295 0.91 MCL1 (0.42) MAPTTP53POLBMEN1KMT2A
SCHEMBL1739546 0.90 TP53 (0.47) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL1736273 0.90 FABP4 (0.47) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL1738189 0.89 ALDH1A1 (0.40) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL1739046 0.89 MAPT (0.43) MAPTTP53POLBKDM4EMEN1
Hydrochloric Acid SCHEMBL1736404 0.89 TP53 (0.46) MAPTTP53MEN1KMT2AALDH1A1

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 2 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