SCHEMBL11137170

SCHEMBL11137170

O=C(NS(=O)(=O)C=Cc1ccccc1)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.49
▸ LMNA P02545 6/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ XBP1 P17861 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.46
▸ TTR P02766 1/20 0.46
▸ PPOX P50336 1/20 0.46
▸ FAAH O00519 1/20 0.44
▸ LIPE Q05469 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ PTGES2 Q9H7Z7 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PPARG P37231 3/20 0.42
▸ POLB P06746 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
SCHEMBL11034425 0.92 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL11034421 0.92 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL11220963 0.84 LMNA (0.52) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL11131023 0.82 LMNA (0.51) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL10452504 0.80 KMT2A (0.69) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL11455024 0.78 KMT2A (0.61) SMN1; SMN2LMNAKMT2AMAPTMEN1
Potassium Ion SCHEMBL11458215 0.78 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL11455998 0.78 KMT2A (0.56) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL10775218 0.78 SMN1; SMN2 (0.58) SMN1; SMN2LMNAKMT2AMAPTMEN1
SCHEMBL11005246 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58090556-A — — None — — JP disclosed
JP-S5890556-A BENZAMIDE DERIVATIVE AND HERBICIDE CONTAINING THE SAME ISHIHARA SANGYO KAISHA LTD 1983-05-30 — — JP disclosed
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