SCHEMBL5177348

SCHEMBL5177348

CC(C)(C)CN.Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2[S@@+](C)[O-])cc1-n1cc(C(=O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.39
BCR P11274 8/20 0.39
MAPK11 Q15759 2/20 0.39
MAPK14 Q16539 2/20 0.39
PPARG P37231 1/20 0.38
BRAF P15056 3/20 0.36
NR1H4 Q96RI1 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
EGLN1 Q9GZT9 3/20 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
SCHEMBL5343329 1.00 ABL1 (0.39) ABL1BCRMAPK11MAPK14PPARG
SCHEMBL4479189 0.95 ABL1 (0.42) ABL1BCRMAPK11MAPK14PPARG
SCHEMBL4463276 0.95 ABL1 (0.42) ABL1BCRMAPK11MAPK14PPARG
SCHEMBL4463281 0.95 ABL1 (0.42) ABL1BCRMAPK11MAPK14PPARG
SCHEMBL13935950 0.88 ABL1 (0.39) ABL1BCRMAPK11MAPK14BRAF
SCHEMBL13935942 0.88 ABL1 (0.39) ABL1BCRMAPK11MAPK14BRAF
SCHEMBL5177343 0.88 ABL1 (0.39) ABL1BCRMAPK11MAPK14BRAF
SCHEMBL5177289 0.85 MAPK11 (0.40) ABL1BCRMAPK11MAPK14PPARG
SCHEMBL5179173 0.83 HTT (0.37) ABL1PPARGNR1H4HPGDHTT
SCHEMBL5179484 0.81 ABL1 (0.38) ABL1BCRMAPK11MAPK14PPARG

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-1756065-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-02-28 EP disclosed
WO-2005115991-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-08 WO disclosed