SCHEMBL19917731

SCHEMBL19917731

CCN(CC(=O)NCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTGER1 P34995 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LSS P48449 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ BACE2 Q9Y5Z0 1/20 0.40

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
SCHEMBL19917653 0.91 TRPA1 (0.38) NPC1RAB9APTGER1MAPK1BACE1
SCHEMBL19917763 0.91 BACE1 (0.52) HPGDMEN1KMT2ALMNAGAA
SCHEMBL19917688 0.90 CASR (0.38) NPC1RAB9APTGER1MAPK1PPARA
SCHEMBL19917762 0.89 NPC1 (0.46) NPC1RAB9APTGER1HPGDMEN1
SCHEMBL19917774 0.88 TRPA1 (0.46) PTGER1PPARATRPA1
SCHEMBL19917735 0.87 TRPA1 (0.40) HPGDMEN1KMT2AGAATRPA1
SCHEMBL16964298 0.81 TRPA1 (0.40) MEN1KMT2ATRPA1
SCHEMBL16964826 0.80 TRPA1 (0.46) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL19917704 0.79 TRPA1 (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL19917764 0.79 CASR (0.39) NPC1RAB9APTGER1HPGDMEN1

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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