SCHEMBL7292373

SCHEMBL7292373

Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(S)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.55
▸ TRPV1 Q8NER1 3/20 0.54
▸ HDAC3 O15379 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ DHODH Q02127 1/20 0.47
▸ DHPS P49366 1/20 0.47

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
SCHEMBL1687866 0.84 NR1H4 (0.67) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL1496348 0.82 CA12 (0.58) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL4721074 0.80 NR1H4 (0.58) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL1687867 0.78 NPC1 (0.79) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL7293746 0.78 NPC1 (0.79) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL7291713 0.78 NPC1 (0.79) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL25348875 0.75 P2RX1 (0.63) NR1H4TRPV1SMN1; SMN2NPC1RAB9A
SCHEMBL9284694 0.75 CFTR (0.63) NR1H4TRPV1HDAC3HDAC11HDAC8
SCHEMBL11759876 0.75 KCNK3 (0.59) NR1H4HDAC3HDAC8HDAC6SMN1; SMN2
SCHEMBL12585027 0.74 MAPT (0.71) NR1H4TRPV1HDAC3HDAC11HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 — — EP disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 — — EP disclosed
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