SCHEMBL11004074

SCHEMBL11004074

CS(C)(=O)=NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ TDP1 Q9NUW8 2/20 0.73
▸ TTR P02766 1/20 0.73
▸ PPOX P50336 1/20 0.73
▸ FFAR1 O14842 5/20 0.44
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ LMNA P02545 5/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PYGL P06737 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
SCHEMBL11008103 0.93 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11003429 0.92 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11002398 0.92 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8582624 0.91 TDP1 (0.71) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11003676 0.90 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11005386 0.90 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11007247 0.90 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11008451 0.90 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11008339 0.89 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11003864 0.88 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US claimed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 — — EP claimed
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US disclosed
EP-0109575-A2 Benzoic-acid derivatives, process and means for its production F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-30 — — EP disclosed
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