SCHEMBL9681931

SCHEMBL9681931

COc1cc(OC)nc(-c2cccc(Cl)c2C(=O)N(N)c2ccc(F)cc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK7 Q13164 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
SCHEMBL9681928 0.88 RORC (0.34) RORCGPBAR1NPSR1HCRTR1HCRTR2
SCHEMBL28345038 0.74
SCHEMBL9681868 0.73 NPSR1 (0.43) NPSR1HCRTR1HCRTR2
SCHEMBL29176434 0.70 NPSR1 (0.44) NPSR1CYP1A2
SCHEMBL8320961 0.69 NPSR1 (0.39) NPSR1
SCHEMBL9448737 0.68 NPC1 (0.51) HCRTR1HCRTR2NPC1CYP1A2RAB9A
SCHEMBL7758359 0.68 GAA (0.44) RORC
SCHEMBL28429986 0.67
SCHEMBL8959297 0.63 DHODH (0.44) NPSR1CYP1A2
SCHEMBL8626884 0.63 NPSR1 (0.45) NPSR1CYP1A2

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
US-5135563-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-08-04 US disclosed
EP-0469711-A1 Pyrimidine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-05 EP disclosed