SCHEMBL6580048

SCHEMBL6580048

C#CCN(Cc1cc2c(=O)n(CC(=O)N3CCCCC3)c(CN3CCCCC3)nc2cc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.49
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 3/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.33

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 0.92 NAMPT (0.51) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582617 0.91 NAMPT (0.49) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6582624 0.90 NAMPT (0.52) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6583141 0.90 NAMPT (0.51) NAMPTALDH1A1SMN1; SMN2
SCHEMBL6584349 0.89 NAMPT (0.61) NAMPTSMN1; SMN2POLB
SCHEMBL6585453 0.88 NAMPT (0.61) NAMPTALDH1A1
SCHEMBL6585938 0.84 NAMPT (0.63) NAMPTALDH1A1
SCHEMBL6583700 0.84 NAMPT (0.68) NAMPT
SCHEMBL6582111 0.83 NAMPT (0.54) NAMPTALDH1A1SMN1; SMN2POLBHTT
SCHEMBL6580412 0.82 NAMPT (0.60) NAMPTALDH1A1SMN1; SMN2TSHRMAPK1

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