SCHEMBL1737672

SCHEMBL1737672

Cc1c(C)n(Cc2ccccc2)c2c(CN(C)c3ccc(F)cc3)nccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.41
GRIA2 P42262 1/20 0.39
MCL1 Q07820 1/20 0.37
POLB P06746 2/20 0.36
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 3/20 0.35
HTT P42858 2/20 0.35
NR2F2 P24468 1/20 0.35
DHFR P00374 1/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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 SCHEMBL1737711 0.99 FABP4 (0.41) FABP4GRIA2MCL1POLBMEN1
SCHEMBL1736207 0.95 MCL1 (0.36) FABP4GRIA2MCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL1739136 0.94 MCL1 (0.36) FABP4GRIA2MCL1MEN1KMT2A
SCHEMBL1739193 0.92 THRB (0.35) FABP4MCL1MEN1KMT2ARAB9A
SCHEMBL1739205 0.91 MAPT (0.39) FABP4GRIA2MEN1KMT2ATSHR
SCHEMBL1738944 0.91 MAPT (0.39) MCL1POLBMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL1736562 0.91 THRB (0.35) FABP4MCL1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL1736850 0.90 MAPT (0.39) FABP4GRIA2MEN1KMT2ANPC1
SCHEMBL1739716 0.90 CSF1R (0.39) FABP4GRIA2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL1735476 0.90 MAPT (0.39) MCL1POLBMEN1KMT2ARAB9A

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