SCHEMBL13253263

SCHEMBL13253263

Cc1ccc(N2C(=O)c3cccc(-c4ccc5c(c4)C(=O)N(C)C5=O)c3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ AHR P35869 1/20 0.50
▸ CA9 Q16790 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ APP P05067 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PGR P06401 1/20 0.43

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
SCHEMBL13253262 0.93 ADORA2A (0.51) ADORA2AALDH1A1RAB9ANPC1TSHR
SCHEMBL7591247 0.86 ALDH1A1 (0.61) ADORA2AALDH1A1RAB9ANPC1TSHR
SCHEMBL13533870 0.84 ALDH1A1 (0.59) ADORA2AALDH1A1RAB9ANPC1TSHR
SCHEMBL13018342 0.84 ALDH1A1 (0.59) ADORA2AALDH1A1RAB9ANPC1TSHR
SCHEMBL12317361 0.79 BRD4 (0.60) ADORA2AALDH1A1RAB9ANPC1TSHR
SCHEMBL7594849 0.78 MEN1 (0.54) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL4569585 0.78 ALDH1A1 (0.67) ADORA2AALDH1A1RAB9ANPC1TSHR
SCHEMBL12034649 0.78 MAPK1 (0.56) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL13018340 0.77 MEN1 (0.53) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL16521230 0.77 CA9 (0.59) ALDH1A1RAB9ANPC1TSHRCASP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2218755-A1 POLYAMIC ACID SOLUTION COMPOSITION HAVING CARBON BLACK DISPERSED THEREIN, PROCESS FOR PRODUCTION OF SEMICONDUCTIVE POLYIMIDE RESIN BELT USING THE COMPOSITION, AND SEMICONDUCTIVE POLYIMIDE RESIN BELT Gunze Limited (JP) 2010-08-18 — — EP disclosed
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