SCHEMBL6585979

SCHEMBL6585979

CN(c1ccc(C(=O)O)cc1)C1CCc2cc3nc(CO)[nH]c(=O)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP14 Q460N5 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL6585942 0.89 KDM4E (0.39) KDM4ERECQLTNKSPARP1TNKS2
SCHEMBL6583698 0.88 PARP14 (0.35) TNKSTNKS2PARP14
SCHEMBL988538 0.85 TYMS (0.39) KDM4ERECQL
SCHEMBL988539 0.85 TYMS (0.39) KDM4ERECQL
SCHEMBL10067676 0.82 DHFR (0.49)
SCHEMBL3674775 0.79 KDM4E (0.43) KDM4ERECQLNPSR1TNKSPARP1
SCHEMBL3674777 0.79 KDM4E (0.43) KDM4ERECQLNPSR1TNKSPARP1
SCHEMBL13255227 0.79 DHFR (0.38) KDM4ERECQL
SCHEMBL6585873 0.78 PARP14 (0.34) TNKSTNKS2PARP14
SCHEMBL22163007 0.77 DHFR (0.44)

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