SCHEMBL19917691

SCHEMBL19917691

CC(C)N(CC(=O)NCc1cncc(-c2ccc(C(F)(F)F)cc2)c1)Sc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ TRPA1 O75762 4/20 0.44
▸ LMNA P02545 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PTGER1 P34995 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 0.88 TRPA1 (0.44) TRPA1LMNATACR1CCR2OPRM1
SCHEMBL19917733 0.87 TRPA1 (0.55) TRPA1LMNAOPRM1OPRL1NPC1
SCHEMBL19917716 0.84 TRPA1 (0.41) TRPA1LMNATACR1CCR2ALDH1A1
SCHEMBL19917673 0.83 CASR (0.42) TRPA1LMNAOPRM1OPRL1NPC1
SCHEMBL19917756 0.83 TRPA1 (0.46) TRPA1LMNAPTGER1
SCHEMBL16894121 0.82 TRPA1 (0.59) TRPA1RORCALDH1A1
SCHEMBL19917690 0.81 TRPA1 (0.43) KDM1AHDAC1TRPA1KCNH2RORC
SCHEMBL19917743 0.81 TRPA1 (0.45) TRPA1MEN1KMT2A
SCHEMBL19917692 0.80 CASR (0.57) TRPA1MEN1KMT2AALDH1A1
SCHEMBL19917687 0.79 TRPA1 (0.54) TRPA1OPRM1OPRL1NPC1RAB9A

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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