SCHEMBL6585952

SCHEMBL6585952

CN(c1ccc(C(=O)O)cc1)C1CCc2cc3nc(S(C)(=O)=O)n(C)c(=O)c3cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.34
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
PARG Q86W56 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL6582772 0.80 HDAC6 (0.41) ALDH1A1THRBHTTHDAC6
SCHEMBL6585942 0.77 KDM4E (0.39)
SCHEMBL6585979 0.75 KDM4E (0.41)
SCHEMBL6905953 0.72 SMN1; SMN2 (0.42) ALDH1A1THRB
SCHEMBL6582509 0.72 HDAC6 (0.38) ALDH1A1THRBHTTHDAC6
SCHEMBL6585914 0.71 TRPM8 (0.30) TRPM8
SCHEMBL6580579 0.64 SMN1; SMN2 (0.41) ALDH1A1THRB
SCHEMBL2317497 0.63
SCHEMBL13255227 0.62 DHFR (0.38)
SCHEMBL988539 0.61 TYMS (0.39)

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