SCHEMBL1735910

SCHEMBL1735910

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
TRPA1 O75762 6/20 0.39
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HASPIN Q8TF76 1/20 0.37
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 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 SCHEMBL1735320 0.99 FFAR1 (0.39) FFAR1TRPA1RAB9AALDH1A1MEN1
SCHEMBL1736996 0.86 RAB9A (0.38) FFAR1TRPA1RAB9AALDH1A1MEN1
SCHEMBL1737252 0.86 RAB9A (0.39) FFAR1TRPA1RAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL1737972 0.85 RAB9A (0.37) FFAR1TRPA1RAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL1736956 0.85 RAB9A (0.38) FFAR1TRPA1RAB9AALDH1A1MEN1
SCHEMBL1737361 0.84 FFAR1 (0.36) FFAR1TRPA1RAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL1736103 0.83 FFAR1 (0.36) FFAR1TRPA1RAB9AALDH1A1MEN1
SCHEMBL1736802 0.83 L3MBTL1 (0.39) FFAR1TRPA1RAB9AMEN1KMT2A
SCHEMBL1737057 0.82 FFAR1 (0.36) FFAR1TRPA1RAB9AALDH1A1MEN1
Hydrochloric Acid SCHEMBL1736139 0.82 L3MBTL1 (0.38) FFAR1TRPA1RAB9AMEN1KMT2A

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