SCHEMBL1739165

SCHEMBL1739165

Cc1c(C)n(C)c2c(COc3ccccc3Cl)nccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
FFAR1 O14842 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
ROS1 P08922 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38
AKT1 P31749 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 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 SCHEMBL1737747 0.99 KDM4E (0.39) KDM4EFFAR1MAPK1ALDH1A1ALOX15
SCHEMBL1737420 0.86 KDM4E (0.37) KDM4EFFAR1MAPK1ALDH1A1ALOX15
SCHEMBL1737488 0.85 KDM4E (0.39) KDM4EFFAR1MAPK1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL1736963 0.85 KDM4E (0.37) KDM4EFFAR1MAPK1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL1738061 0.84 KDM4E (0.38) KDM4EFFAR1MAPK1ALDH1A1ALOX15
SCHEMBL1737398 0.84 NPC1 (0.37) KDM4EFFAR1MAPK1ALDH1A1ALOX15
SCHEMBL1737165 0.83 FABP4 (0.44) KDM4EMAPK1ALDH1A1HSD17B10MAPT
Hydrochloric Acid SCHEMBL1738394 0.83 NPC1 (0.37) KDM4EFFAR1MAPK1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL1737555 0.82 FABP4 (0.43) KDM4EMAPK1ALDH1A1HSD17B10MAPT
SCHEMBL1738542 0.82 MCL1 (0.40) KDM4EALDH1A1MAPTDYRK1AHTT

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