SCHEMBL6583200

SCHEMBL6583200

CC(=O)OCc1nc2cc3c(cc2c(=O)n1COC(=O)C(C)(C)C)CCC3

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.33
POLR1A O95602 1/20 0.33
PSIP1 O75475 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL6582047 0.87 POLB (0.37) POLBGAANPSR1ALDH1A1
SCHEMBL6580384 0.87 POLB (0.37) POLBGAANPSR1ALDH1A1
SCHEMBL6948647 0.84 GAA (0.42) POLBGAANPSR1ALDH1A1POLR1A
SCHEMBL6582239 0.75 GAA (0.32) GAA
SCHEMBL6582588 0.75 ELANE (0.30)
SCHEMBL5734926 0.73 POLB (0.40) POLBGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL12440136 0.71 GAA (0.40) POLBGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL6950988 0.71 GAA (0.40) POLBGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL988602 0.70 ALDH1A1 (0.38) GAAALDH1A1SMN1; SMN2
SCHEMBL9300884 0.69 POLB (0.47) POLBGAANPSR1ALDH1A1POLR1A

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