SCHEMBL28100328

SCHEMBL28100328

CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)c(Cl)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 13/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TTR P02766 1/20 0.48
▸ PPOX P50336 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ FLT1 P17948 2/20 0.44
▸ FLT4 P35916 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ SCN5A Q14524 2/20 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
SCHEMBL29943920 1.00 SCN9A (0.48) SCN9ATDP1MEN1TTRPPOX
SCHEMBL11372278 0.85 TDP1 (0.54) SCN9ATDP1MEN1TTRPPOX
SCHEMBL10671105 0.85 TDP1 (0.54) SCN9ATDP1MEN1TTRPPOX
Fomesafen SCHEMBL39607 0.83 TDP1 (0.71) SCN9ATDP1MEN1TTRPPOX
Fomesafen SCHEMBL30120750 0.83 TDP1 (0.71) SCN9ATDP1MEN1TTRPPOX
Fomesafen SCHEMBL16881788 0.83 TDP1 (0.71) SCN9ATDP1MEN1TTRPPOX
Fomesafen SCHEMBL29366195 0.83 TDP1 (0.71) SCN9ATDP1MEN1TTRPPOX
SCHEMBL10659795 0.83 TDP1 (0.60) SCN9ATDP1MEN1TTRPPOX
Fomesafen SCHEMBL8539654 0.83 TDP1 (0.71) SCN9ATDP1MEN1TTRPPOX
SCHEMBL14896568 0.82 TDP1 (0.67) TDP1MEN1TTRPPOXKMT2A

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
CN-105939606-A Herbicidal mixture comprising imazethapyr, imazamox and fomesafen, sulfentrazone or bentazone 巴斯夫农业化学品有限公司 2016-09-14 — — CN disclosed
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