SCHEMBL1737158

SCHEMBL1737158

Cc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.50
FABP4 P15090 1/20 0.48
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR2F2 P24468 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40

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 SCHEMBL1735596 0.99 MCL1 (0.49) MCL1FABP4MEN1KMT2AALDH1A1
SCHEMBL1736036 0.95 MCL1 (0.53) MCL1FABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1736786 0.94 MCL1 (0.52) MCL1FABP4MEN1KMT2AALDH1A1
SCHEMBL1737107 0.93 FABP4 (0.51) MCL1FABP4MEN1KMT2AALDH1A1
SCHEMBL1736998 0.93 MCL1 (0.50) MCL1FABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1736597 0.92 MCL1 (0.49) MCL1FABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1736953 0.92 FABP4 (0.50) MCL1FABP4MEN1KMT2AALDH1A1
SCHEMBL1736273 0.91 FABP4 (0.47) MCL1FABP4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1736505 0.90 FABP4 (0.46) MCL1FABP4MEN1KMT2AALDH1A1
SCHEMBL1737427 0.90 MCL1 (0.48) MCL1FABP4MEN1KMT2AALDH1A1

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