Sugi Predict

Sugi Predict / Compounds / SCHEMBL5794885

SCHEMBL5794885

SCHEMBL5794885

CC(C)(C)CN.Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2S(C)(=O)=O)cc1-n1cc(C(=O)O)nn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.39
▸ PPARG P37231 1/20 0.36
▸ GPR142 Q7Z601 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ CNR2 P34972 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
SCHEMBL4463265 0.95 BRAF (0.41) BRAFPPARGGPR142NR1H4CNR2
SCHEMBL1379500 0.88 BRAF (0.39) BRAFGPR142CNR2
SCHEMBL5791013 0.87 BRAF (0.39) BRAFPPARGGPR142NR1H4
SCHEMBL6807095 0.84 BRAF (0.48) BRAF
SCHEMBL1414199 0.82 BRAF (0.41) BRAFPPARGGPR142NR1H4
SCHEMBL5791935 0.82 BRAF (0.38) BRAF
SCHEMBL4508137 0.81 MEN1 (0.50) BRAFPPARGNR1H4
SCHEMBL4462238 0.81 BRAF (0.41) BRAFPPARGGPR142NR1H4
SCHEMBL5794566 0.81 BRAF (0.37) BRAFGPR142NR1H4
SCHEMBL1404734 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