SCHEMBL6582111

SCHEMBL6582111

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.54
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.38
USP2 O75604 2/20 0.37

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
SCHEMBL6582830 0.91 NAMPT (0.51) NAMPTALDH1A1POLBHTTTSHR
SCHEMBL6582624 0.90 NAMPT (0.52) NAMPTALDH1A1POLBHTTTSHR
SCHEMBL6582965 0.90 NAMPT (0.52) NAMPTALDH1A1POLBHTTTSHR
SCHEMBL6586116 0.88 NAMPT (0.54) NAMPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL6580507 0.88 NAMPT (0.65) NAMPTPOLBSMN1; SMN2
SCHEMBL6583183 0.87 NAMPT (0.74) NAMPT
SCHEMBL6790569 0.87 NAMPT (0.66) NAMPTALDH1A1
SCHEMBL6580048 0.83 NAMPT (0.49) NAMPTALDH1A1POLBHTTTSHR
SCHEMBL6582617 0.82 NAMPT (0.49) NAMPTALDH1A1POLBHTTTSHR
SCHEMBL6583938 0.82 NAMPT (0.67) 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