SCHEMBL1737543

SCHEMBL1737543

Cc1c(C)n(Cc2ccc(Cl)cc2)c2c(-c3ccc(F)cc3)nccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.45
ALDH1A1 P00352 7/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
USP2 O75604 6/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2C9 P11712 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 5/20 0.42
CASP7 P55210 5/20 0.42
HIF1A Q16665 5/20 0.42
HSD17B10 Q99714 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
CYP2C19 P33261 3/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL1737563 1.00 MCL1 (0.45) MCL1ALDH1A1HTTMAPTUSP2
Hydrochloric Acid SCHEMBL1736600 0.99 MCL1 (0.44) MCL1ALDH1A1HTTMAPTUSP2
Hydrochloric Acid SCHEMBL1737820 0.99 MCL1 (0.44) MCL1ALDH1A1HTTMAPTUSP2
SCHEMBL1738892 0.95 MCL1 (0.48) MCL1ALDH1A1HTTMAPTUSP2
Hydrochloric Acid SCHEMBL1735775 0.94 MCL1 (0.47) MCL1ALDH1A1HTTMAPTUSP2
SCHEMBL1738530 0.94 KDM4E (0.46) MCL1ALDH1A1HTTMAPTKMT2A
Hydrochloric Acid SCHEMBL1736616 0.93 KDM4E (0.44) MCL1ALDH1A1HTTMAPTKMT2A
SCHEMBL1739805 0.92 MCL1 (0.46) MCL1ALDH1A1HTTMAPTUSP2
SCHEMBL1737438 0.92 MCL1 (0.46) MCL1ALDH1A1HTTMAPTUSP2
Hydrochloric Acid SCHEMBL1737337 0.91 MCL1 (0.45) MCL1ALDH1A1HTTMAPTUSP2

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