SCHEMBL13406464

SCHEMBL13406464

CCOOCCCNC(=O)n1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.39
ALOX15 P16050 1/20 0.38
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
GPR35 Q9HC97 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL1531140 0.88 ASAH1 (0.53) ASAH1ALOX15GABRA2GABRB2KMT2A
SCHEMBL1531129 0.87 ASAH1 (0.41) ASAH1ALOX15GPR35L3MBTL1GABRP
SCHEMBL38882 0.85 NPSR1 (0.39) ASAH1ALOX15GPR35L3MBTL1GABRP
SCHEMBL1531125 0.85 L3MBTL1 (0.41) ASAH1ALOX15GPR35L3MBTL1GABRP
SCHEMBL13303575 0.84 MEN1 (0.40) ASAH1ALOX15RHOCRHOAGPR35
SCHEMBL13406462 0.83 MEN1 (0.34) GPR35L3MBTL1GABRPGABRDGABRA1
SCHEMBL1531181 0.81 KDR (0.35) ASAH1ALOX15L3MBTL1GABRPGABRD
SCHEMBL1531233 0.80 KDR (0.38) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL1531164 0.80 ALDH1A1 (0.37) L3MBTL1GABRPGABRDGABRA1GABRB1
SCHEMBL38481 0.80 NPSR1 (0.37) ASAH1ALOX15GPR35L3MBTL1GABRP

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
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed