SCHEMBL11003676

SCHEMBL11003676

CS(=O)(=NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ TDP1 Q9NUW8 2/20 0.65
▸ TTR P02766 1/20 0.65
▸ PPOX P50336 1/20 0.65
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FFAR1 O14842 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TBXA2R P21731 2/20 0.40
▸ PYGL P06737 1/20 0.40
▸ PLA2G7 Q13093 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL11003429 0.95 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11005386 0.93 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11008451 0.93 TDP1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11007247 0.93 TDP1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11004074 0.90 MEN1 (0.73) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11004065 0.88 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11008339 0.87 TDP1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11008103 0.87 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11002398 0.86 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL8582624 0.86 TDP1 (0.71) 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 3 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
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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