SCHEMBL11005246

SCHEMBL11005246

CS(C)(=O)=NC(=O)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ LMNA P02545 6/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ TTR P02766 1/20 0.51
▸ PPOX P50336 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ FAAH O00519 1/20 0.50
▸ HTT P42858 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ XBP1 P17861 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ LIPE Q05469 1/20 0.46
▸ FFAR1 O14842 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.43

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
SCHEMBL11220963 0.88 LMNA (0.52) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL11003625 0.88 TDP1 (0.49) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL10452504 0.85 KMT2A (0.69) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL11455024 0.85 KMT2A (0.61) SMN1; SMN2LMNAKMT2AMEN1TDP1
Potassium Ion SCHEMBL11458215 0.84 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL10775218 0.84 SMN1; SMN2 (0.58) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL11455998 0.84 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL11008594 0.84 RAB9A (0.54) LMNAKMT2AMEN1TDP1TTR
SCHEMBL11004074 0.84 MEN1 (0.73) SMN1; SMN2LMNAKMT2AMEN1TDP1
SCHEMBL10772903 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2AMEN1TDP1

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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