SCHEMBL6580499

SCHEMBL6580499

C#CCN(Cc1cc2c(=O)[nH]c(CO)nc2cc1Cl)c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.51
DHFR P00374 3/20 0.49
TYMS P04818 2/20 0.46

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
SCHEMBL6582245 0.88 NAMPT (0.51) NAMPTDHFRTYMS
SCHEMBL6582558 0.87 NAMPT (0.49) NAMPTDHFRTYMS
SCHEMBL6584472 0.87 NAMPT (0.48) NAMPTDHFRTYMS
SCHEMBL6580453 0.87 NAMPT (0.50) NAMPTDHFRTYMS
SCHEMBL6580435 0.80 NAMPT (0.71) NAMPTDHFR
SCHEMBL9088368 0.79 TYMS (0.60) NAMPTTYMS
SCHEMBL6583369 0.78 NAMPT (0.48) NAMPTDHFRTYMS
SCHEMBL6586178 0.77 NAMPT (0.47) NAMPTDHFRTYMS
SCHEMBL9503977 0.77 DHFR (0.66) DHFRTYMS
SCHEMBL6582181 0.76 NAMPT (0.46) NAMPTDHFRTYMS

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-1155012-B1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER REC TECH LTD (GB) 2004-04-14 EP disclosed
US-6699861-B1 ANTI-CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-02 US disclosed