SCHEMBL6580507

SCHEMBL6580507

C#CCN(Cc1cc2c(=O)n(C)c(CN3CCCCC3)nc2cc1Cl)c1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.65
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL6790569 0.99 NAMPT (0.66) NAMPT
SCHEMBL6583938 0.94 NAMPT (0.67) NAMPT
SCHEMBL6902914 0.94 NAMPT (0.73) NAMPT
SCHEMBL6583098 0.92 NAMPT (0.66) NAMPT
SCHEMBL6582292 0.92 NAMPT (0.64) NAMPTSMN1; SMN2
SCHEMBL6582182 0.92 NAMPT (0.63) NAMPT
SCHEMBL6581576 0.90 NAMPT (0.65) NAMPT
SCHEMBL6586116 0.90 NAMPT (0.54) NAMPTPOLBSMN1; SMN2
SCHEMBL6584349 0.90 NAMPT (0.61) NAMPTPOLBCYP3A4GAACYP2D6
SCHEMBL6585453 0.89 NAMPT (0.61) 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 4 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
EP-1155012-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES Cancer Research Ventures Limited (GB) 2001-11-21 EP disclosed
WO-2000050417-A1 ANTI-CANCER DIHYDROQUINAZOLINE DERIVATIVES CANCER RESEARCH VENTURES LIMITED (GB) 2000-08-31 WO disclosed