SCHEMBL19917716

SCHEMBL19917716

COc1cc(CNC(=O)CN(Sc2ccc(F)cc2)C(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ CASR P41180 2/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ USP2 O75604 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
SCHEMBL19917670 0.90 TRPA1 (0.44) TRPA1RXRARXRBRXRGTACR1
SCHEMBL19917754 0.89 MAPT (0.42) TRPA1MAPTRXFP1RXRARXRB
SCHEMBL19917734 0.87 MAPT (0.41) TRPA1MAPTRXFP1RXRARXRB
SCHEMBL19917733 0.86 TRPA1 (0.55) TRPA1MAPTCASRLMNAPOLB
SCHEMBL19917691 0.84 KDM1A (0.45) TRPA1TACR1CCR2LMNAALDH1A1
SCHEMBL19917692 0.84 CASR (0.57) TRPA1CASRGAAALDH1A1PTPN7
SCHEMBL16894117 0.83 TRPA1 (0.53) TRPA1
SCHEMBL19917714 0.82 TRPA1 (0.42) TRPA1MAPTRXFP1RXRARXRB
SCHEMBL19917673 0.81 CASR (0.42) TRPA1CASRLMNA
SCHEMBL19917756 0.81 TRPA1 (0.46) TRPA1LMNA

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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