SCHEMBL19917714

SCHEMBL19917714

COc1cc(CNC(=O)CN(C(C)C)[S+]([O-])c2ccc(F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CASR P41180 2/20 0.37
▸ BMP1 P13497 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ ADCY8 P40145 1/20 0.35
▸ ADCY1 Q08828 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35

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
SCHEMBL19917753 0.91 TRPA1 (0.41) TRPA1RXRARXRBRXRGTP53
SCHEMBL19917669 0.90 TRPA1 (0.43) TRPA1RXRARXRBRXRGTACR1
SCHEMBL19917735 0.88 TRPA1 (0.40) TRPA1RXRARXRBRXRGTP53
SCHEMBL19917732 0.86 TRPA1 (0.54) TRPA1MAPTCASRPOLBALDH1A1
SCHEMBL19917690 0.84 TRPA1 (0.43) TRPA1GAAALDH1A1
SCHEMBL19917693 0.84 CASR (0.56) TRPA1CASRGAAALDH1A1
SCHEMBL16894117 0.84 TRPA1 (0.53) TRPA1BMP1
SCHEMBL19917716 0.82 TRPA1 (0.41) TRPA1RXRARXRBRXRGTP53
SCHEMBL16894105 0.82 KDM4E (0.48) TRPA1MAPTBMP1ALDH1A1
SCHEMBL19917672 0.82 CASR (0.42) TRPA1CASR

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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