SCHEMBL11359539

SCHEMBL11359539

CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Br)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TTR P02766 1/20 0.55
▸ PPOX P50336 1/20 0.55
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ LMNA P02545 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PYGL P06737 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ SCN9A Q15858 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL10675634 0.90 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10668961 0.89 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10673393 0.89 TDP1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11362624 0.89 TDP1 (0.55) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL29366195 0.89 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL8539654 0.89 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL16881788 0.89 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL39607 0.89 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL30120750 0.89 TDP1 (0.71) TDP1MEN1KMT2ATTRPPOX
Fomesafen SCHEMBL467115 0.88 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX

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
EP-0003416-B1 DIPHENYL ETHER COMPOUNDS USEFUL AS HERBICIDES; METHODS OF USING THEM, PROCESSES FOR PREPARING THEM, AND HERBICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 — — EP disclosed
EP-0003416-A1 Diphenyl ether compounds useful as herbicides; methods of using them, processes for preparing them, and herbicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 — — EP disclosed
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