SCHEMBL19917760

SCHEMBL19917760

CN(CC(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1F)Sc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 7/20 0.46
▸ LMNA P02545 1/20 0.39
▸ DDR1 Q08345 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ POLQ O75417 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL19917776 0.88 TRPA1 (0.45) TRPA1LMNADDR1KIF11PPARD
SCHEMBL19917756 0.87 TRPA1 (0.46) TRPA1LMNADDR1KIF11PPARD
SCHEMBL19917761 0.86 LMNA (0.53) LMNAKMT2AOPRM1OPRL1HPGD
SCHEMBL19917705 0.85 TRPA1 (0.51) TRPA1LMNAOPRM1OPRL1
SCHEMBL19917766 0.84 LMNA (0.44) TRPA1LMNAKMT2AOPRM1OPRL1
SCHEMBL19917770 0.82 LMNA (0.38) TRPA1LMNADDR1KMT2AOPRM1
SCHEMBL16894260 0.81 KMT2A (0.57) TRPA1KMT2AGAA
SCHEMBL19917765 0.81 TRPA1 (0.47) TRPA1KIF11PPARDPOLQKMT2A
SCHEMBL19917754 0.80 MAPT (0.42) TRPA1LMNAKMT2AGAAHPGD
SCHEMBL19917757 0.79 TRPA1 (0.54) TRPA1

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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