SCHEMBL1736802

SCHEMBL1736802

Cc1c(C)n(Cc2ccc(F)cc2)c2c(COc3ccc(F)cc3F)nccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 6/20 0.38
FFAR1 O14842 1/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPA1 O75762 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 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 SCHEMBL1736139 0.99 L3MBTL1 (0.38) L3MBTL1MAPK14FFAR1MAPTCYP1A2
SCHEMBL1737252 0.88 RAB9A (0.39) FFAR1TRPA1MEN1KMT2ARAB9A
SCHEMBL1737046 0.87 L3MBTL1 (0.37) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1736956 0.87 RAB9A (0.38) FFAR1TRPA1MEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL1736306 0.86 L3MBTL1 (0.37) L3MBTL1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL1736996 0.86 RAB9A (0.38) FFAR1TRPA1MEN1KMT2ARAB9A
SCHEMBL1736156 0.85 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1737972 0.85 RAB9A (0.37) FFAR1TRPA1MEN1KMT2ARAB9A
SCHEMBL1738542 0.85 MCL1 (0.40) MAPK14MAPTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1736249 0.84 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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