SCHEMBL6580384

SCHEMBL6580384

CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)C(=O)CC3

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6582047 0.96 POLB (0.37) POLBGAANPSR1ALDH1A1
SCHEMBL6583200 0.87 POLB (0.39) POLBGAANPSR1ALDH1A1
SCHEMBL6950988 0.85 GAA (0.40) POLBGAANPSR1ALDH1A1
SCHEMBL12440136 0.81 GAA (0.40) POLBGAANPSR1ALDH1A1
SCHEMBL6582239 0.73 GAA (0.32) GAA
SCHEMBL6582588 0.72 ELANE (0.30)
SCHEMBL988163 0.72 MAPT (0.38) GAAALDH1A1
SCHEMBL6948647 0.71 GAA (0.42) POLBGAANPSR1ALDH1A1
SCHEMBL5734926 0.71 POLB (0.40) POLBGAANPSR1ALDH1A1
SCHEMBL988751 0.68 MAPT (0.38) GAAALDH1A1

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