SCHEMBL1739716

SCHEMBL1739716

Cc1cccc(Cn2c(C)c(C)c3ccnc(CN(C)c4ccc(F)cc4)c32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.39
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
FABP4 P15090 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX12 P18054 1/20 0.34

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 SCHEMBL1738284 0.99 CSF1R (0.39) CSF1RCYP11B1CYP11B2HSP90AA1HSP90AB1
SCHEMBL1739205 0.93 MAPT (0.39) CSF1RCYP11B1CYP11B2FABP4MAPT
Hydrochloric Acid SCHEMBL1736850 0.92 MAPT (0.39) CSF1RCYP11B1CYP11B2FABP4MAPT
SCHEMBL1737672 0.90 FABP4 (0.41) FABP4TP53HSD17B10KDM4EUSP2
Hydrochloric Acid SCHEMBL1737711 0.89 FABP4 (0.41) FABP4TP53HSD17B10KDM4EUSP2
SCHEMBL1737964 0.89 CYP1A2 (0.41) MAPTHSD17B10HPGDKDM4EUSP2
SCHEMBL1736207 0.89 MCL1 (0.36) CYP11B1CYP11B2FABP4MAPTTP53
Hydrochloric Acid SCHEMBL1737946 0.88 CYP1A2 (0.40) MAPTHSD17B10HPGDKDM4EUSP2
SCHEMBL1739193 0.88 THRB (0.35) FABP4MAPTHSD17B10HPGDKDM4E
Hydrochloric Acid SCHEMBL1739136 0.88 MCL1 (0.36) CYP11B1CYP11B2FABP4MAPTTP53

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