SCHEMBL6582965

SCHEMBL6582965

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.52
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 4/20 0.38
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
SCHEMBL6582617 0.91 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582111 0.90 NAMPT (0.54) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582624 0.89 NAMPT (0.52) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6586116 0.87 NAMPT (0.54) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6580507 0.87 NAMPT (0.65) NAMPTSMN1; SMN2POLB
SCHEMBL6790569 0.86 NAMPT (0.66) NAMPTALDH1A1
SCHEMBL6583938 0.82 NAMPT (0.67) NAMPT
SCHEMBL6580048 0.81 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582830 0.81 NAMPT (0.51) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6902914 0.81 NAMPT (0.73) 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