SCHEMBL6905953

SCHEMBL6905953

CN(c1ccc(C(=O)O)cc1)C1CCc2cc3nc(CN4CCCCC4)[nH]c(=O)c3cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
MLLT1 Q03111 1/20 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
SCHEMBL6580579 0.89 SMN1; SMN2 (0.41) SMN1; SMN2POLBGAAALOX12THRB
SCHEMBL6585979 0.87 KDM4E (0.41) KDM4ETNKSPARP1TNKS2RECQL
SCHEMBL6585942 0.84 KDM4E (0.39) KDM4ETNKSPARP1TNKS2RECQL
SCHEMBL6582772 0.84 HDAC6 (0.41) SMN1; SMN2POLBGAATHRBKDM4E
SCHEMBL6583698 0.76 PARP14 (0.35) MAPTALDH1A1TNKSTNKS2MEN1
SCHEMBL13255227 0.74 DHFR (0.38) KDM4ERECQL
SCHEMBL6585873 0.74 PARP14 (0.34) MAPTALDH1A1TNKSTNKS2MEN1
SCHEMBL6582509 0.73 HDAC6 (0.38) SMN1; SMN2POLBGAATHRBMAPT
SCHEMBL988539 0.73 TYMS (0.39) KDM4ERECQL
SCHEMBL988538 0.73 TYMS (0.39) KDM4ERECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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