SCHEMBL16857785

SCHEMBL16857785

O=C(Nc1ccccc1)Nc1ccc2nc(-n3cc(OC(=O)O)cn3)[nH]c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
EGLN1 Q9GZT9 4/20 0.46
ITGB3 P05106 7/20 0.44
ITGA2B P08514 7/20 0.44
KDR P35968 1/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
IMPDH2 P12268 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL16857707 0.90 ITGB3 (0.49) BRD4EGLN1ITGB3ITGA2BMAPT
SCHEMBL16857842 0.88 EGLN1 (0.46) BRD4EGLN1ITGB3ITGA2BMAPT
SCHEMBL16857750 0.86 IP6K1 (0.47) EGLN1ITGB3ITGA2B
SCHEMBL3026972 0.85 EGLN1 (0.63) EGLN1
SCHEMBL16857806 0.84 EGLN1 (0.49) BRD4EGLN1ITGB3ITGA2BMAPT
SCHEMBL16857820 0.84 EGLN1 (0.46) EGLN1ITGB3ITGA2B
SCHEMBL16857767 0.84 BRD4 (0.47) BRD4EGLN1KDRALDH1A1
SCHEMBL16857757 0.84 EGLN1 (0.44) EGLN1ITGB3ITGA2BMAPTNPC1
SCHEMBL16857786 0.83 EGLN1 (0.57) EGLN1
SCHEMBL16857880 0.83 EGLN1 (0.44) EGLN1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396316-B1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed