SCHEMBL19917693

SCHEMBL19917693

COc1ccc(CNC(=O)CN(C(C)C)[S+]([O-])c2ccc(F)cc2)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 8/20 0.56
▸ PPARA Q07869 6/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RCE1 Q9Y256 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL19917672 0.90 CASR (0.42) CASRPPARAKMT2AMEN1TRPA1
SCHEMBL16894229 0.84 CASR (0.57) CASRTRPA1
SCHEMBL19917714 0.84 TRPA1 (0.42) CASRALDH1A1GAATRPA1
SCHEMBL19917732 0.84 TRPA1 (0.54) CASRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL19917669 0.83 TRPA1 (0.43) PPARATRPA1
SCHEMBL19917692 0.82 CASR (0.57) CASRPPARAKMT2APPARDMEN1
SCHEMBL16894169 0.81 ALDH1A1 (0.53) CASRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL19917690 0.80 TRPA1 (0.43) ALDH1A1GAATRPA1
SCHEMBL19917764 0.80 CASR (0.39) CASRPPARAKMT2AMEN1TRPA1
SCHEMBL19917755 0.79 TRPA1 (0.47) KMT2ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 — — EP disclosed
Send feedback