SCHEMBL11007187

SCHEMBL11007187

COc1ccc(S(C)(=O)=NC(=O)C(C)OC(=O)c2cc(Oc3ccc(C(F)(F)F)cc3Cl)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TTR P02766 1/20 0.58
▸ PPOX P50336 1/20 0.58
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ FFAR1 O14842 2/20 0.38
▸ MAPT P10636 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ FBP1 P09467 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL11004154 0.95 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11009144 0.94 TDP1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11004065 0.94 MEN1 (0.58) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11005418 0.94 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11003844 0.91 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11006605 0.89 TDP1 (0.60) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11007247 0.88 TDP1 (0.65) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11106213 0.87 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9347451 0.84 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2233678 0.83 TDP1 (0.73) 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 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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