SCHEMBL6585873

SCHEMBL6585873

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 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
SCHEMBL6583698 0.90 PARP14 (0.35) PARP14MEN1ALDH1A1MAPTKMT2A
SCHEMBL6580579 0.85 SMN1; SMN2 (0.41) PARP14MEN1ALDH1A1MAPTKMT2A
SCHEMBL6585879 0.80 GPR119 (0.31)
SCHEMBL989396 0.79 TYMS (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL989399 0.79 TYMS (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL6585979 0.78 KDM4E (0.41) PARP14TNKSTNKS2
SCHEMBL988728 0.77 MEN1 (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL988729 0.77 MEN1 (0.35) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10209681 0.77 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL10209682 0.77 MEN1 (0.34) MEN1ALDH1A1MAPTKMT2AHSD17B10

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