SCHEMBL11008594

SCHEMBL11008594

CS(C)(=O)=NC(=O)c1cc(Oc2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.54
▸ MAPT P10636 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SCN9A Q15858 10/20 0.50
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ PPOX P50336 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SCN7A Q01118 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ SCN5A Q14524 2/20 0.45
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ LIPE Q05469 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42

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
SCHEMBL11108780 0.85 RAB9A (0.53) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL11009701 0.84 RAB9A (0.68) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL11005246 0.84 SMN1; SMN2 (0.51) RAB9AMAPTNPSR1POLBLMNA
SCHEMBL11004074 0.80 MEN1 (0.73) MAPTNPSR1POLBLMNAMEN1
SCHEMBL10772934 0.80 RAB9A (0.52) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL10773705 0.80 RAB9A (0.52) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL10846284 0.80 MAPT (0.68) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL10772908 0.79 RAB9A (0.51) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL10778096 0.79 RAB9A (0.50) RAB9AMAPTNPSR1SCN9APOLB
SCHEMBL10775897 0.78 RAB9A (0.49) RAB9AMAPTNPSR1SCN9APOLB

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
US-4556413-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1985-12-03 — — US disclosed
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