SCHEMBL1738944

SCHEMBL1738944

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
KMT2A Q03164 3/20 0.35
HIF1A Q16665 3/20 0.35
HSD17B10 Q99714 3/20 0.35
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33

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 SCHEMBL1735476 0.99 MAPT (0.39) MAPTTP53ALDH1A1HTTMEN1
SCHEMBL1736207 0.96 MCL1 (0.36) MAPTTP53ALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL1739136 0.95 MCL1 (0.36) MAPTTP53ALDH1A1HTTMEN1
SCHEMBL1739193 0.93 THRB (0.35) MAPTALDH1A1HTTMEN1CYP1A2
Hydrochloric Acid SCHEMBL1736562 0.92 THRB (0.35) MAPTALDH1A1HTTMEN1CYP1A2
SCHEMBL1737672 0.91 FABP4 (0.41) TP53ALDH1A1HTTMEN1CYP1A2
SCHEMBL1737466 0.90 PTGDR2 (0.36) MAPTMEN1CYP1A2CYP3A4KMT2A
Hydrochloric Acid SCHEMBL1737711 0.90 FABP4 (0.41) TP53ALDH1A1HTTMEN1CYP1A2
Hydrochloric Acid SCHEMBL1736599 0.89 PTGDR2 (0.36) MAPTMEN1CYP1A2CYP3A4KMT2A
SCHEMBL1738881 0.89 MAPT (0.42) MAPTTP53ALDH1A1MEN1CYP1A2

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