SCHEMBL5791013

SCHEMBL5791013

CC(C)(C)CN.CSc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)O)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.39
PPARG P37231 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NR1H4 Q96RI1 2/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR142 Q7Z601 1/20 0.36

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
SCHEMBL4462238 0.95 BRAF (0.41) BRAFPPARGHDAC1HDAC8HDAC6
Pivalamide SCHEMBL5791007 0.93 BRAF (0.39) BRAFPPARGHDAC1HDAC8HDAC6
SCHEMBL1379069 0.88 BRAF (0.39) BRAFHDAC1HDAC8HDAC6GPR142
SCHEMBL5794885 0.87 BRAF (0.39) BRAFPPARGNR1H4GPR142
SCHEMBL5791935 0.82 BRAF (0.38) BRAF
SCHEMBL4508137 0.81 MEN1 (0.50) BRAFPPARGHDAC1HDAC8HDAC6
SCHEMBL4463265 0.81 BRAF (0.41) BRAFPPARGNR1H4PPARAGPR142
SCHEMBL5794566 0.81 BRAF (0.37) BRAFNR1H4GPR142
SCHEMBL1414199 0.80 BRAF (0.41) BRAFPPARGNR1H4PPARAGPR142
SCHEMBL1404562 0.80 BRAF (0.38) BRAFGPR142

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-1692116-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
WO-2005056535-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 WO disclosed