SCHEMBL19917692

SCHEMBL19917692

COc1ccc(CNC(=O)CN(Sc2ccc(F)cc2)C(C)C)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 8/20 0.57
▸ PPARA Q07869 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PPARD Q03181 3/20 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
▸ PTPN7 P35236 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ PPARG P37231 1/20 0.39

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
SCHEMBL19917673 0.90 CASR (0.42) CASRPPARAKMT2AMEN1TRPA1
SCHEMBL19917716 0.84 TRPA1 (0.41) CASRALDH1A1GAAPTPN7DUSP3
SCHEMBL19917733 0.83 TRPA1 (0.55) CASRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL16894229 0.83 CASR (0.57) CASRTRPA1
SCHEMBL19917693 0.82 CASR (0.56) CASRPPARAKMT2APPARDMEN1
SCHEMBL19917670 0.82 TRPA1 (0.44) PPARATRPA1
SCHEMBL19917691 0.80 KDM1A (0.45) KMT2AMEN1ALDH1A1TRPA1
SCHEMBL16894169 0.80 ALDH1A1 (0.53) CASRKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL19917756 0.79 TRPA1 (0.46) PPARDTRPA1
SCHEMBL19917766 0.78 LMNA (0.44) CASRPPARAKMT2AMEN1SMN1; SMN2

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
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