SCHEMBL11365028

SCHEMBL11365028

COC(=O)CS(=O)(=O)NC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TTR P02766 1/20 0.35
▸ PPOX P50336 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ FLT4 P35916 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ WDR5 P61964 1/20 0.32

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
SCHEMBL8923180 0.87 SCN9A (0.43) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10696882 0.84 TDP1 (0.41) TDP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11213666 0.82 TDP1 (0.57) TDP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11190333 0.80 TDP1 (0.43) TDP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL9120594 0.80 MEN1 (0.52) TDP1MEN1KMT2ATTRPPOX
SCHEMBL31118268 0.79 TDP1 (0.40) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10430085 0.79 TDP1 (0.43) TDP1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL11114839 0.78 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11266141 0.78 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10495360 0.77 TDP1 (0.41) TDP1CYP3A4CYP2C19MEN1KMT2A

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-0023392-A2 Diphenyl ether compounds, and herbicidal compositions and processes utilising them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-04 — — EP disclosed
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