SCHEMBL8488936

SCHEMBL8488936

C#CCN(Cc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1C)c1ccccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.38
KMT2A Q03164 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
SCHEMBL8488360 0.92 NAMPT (0.40) NAMPTKMT2A
SCHEMBL9389115 0.91 NAMPT (0.36) NAMPT
SCHEMBL9366697 0.89 NAMPT (0.45) NAMPT
SCHEMBL8484764 0.87 KMT2A (0.35) KMT2A
SCHEMBL5734367 0.86
SCHEMBL9389148 0.86
SCHEMBL9389133 0.86 NAMPT (0.36) NAMPT
SCHEMBL8489294 0.86 NAMPT (0.36) NAMPTKMT2A
SCHEMBL8488439 0.86 NAMPT (0.43) NAMPTKMT2A
SCHEMBL9299503 0.86 NAMPT (0.44) NAMPT

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
US-5955463-A ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-09-21 US disclosed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 WO disclosed