SCHEMBL7604062

SCHEMBL7604062

O=c1[nH]c(=O)n(-c2ccccc2)c2c1ncn2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.53
PDE4A P27815 1/20 0.48
BRD4 O60885 1/20 0.46
HPGD P15428 2/20 0.45
PARN O95453 1/20 0.44
CNOT7 Q9UIV1 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DAO P14920 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7421519 0.93 PNP (0.49) PNPPDE4ABRD4HPGDPARN
SCHEMBL7421933 0.91 PNP (0.47) PNPPDE4ABRD4HPGDPARN
SCHEMBL7420637 0.85 PGR (0.43) PNPPDE4AHPGDKDM4ELMNA
SCHEMBL7416426 0.84 HPGD (0.49) PNPPDE4ABRD4HPGDPARN
SCHEMBL27501339 0.82 BRD4 (0.58) PNPBRD4HPGDPARNCNOT7
SCHEMBL7459635 0.79 BRD4 (0.62) PNPPDE4ABRD4HPGDPARN
SCHEMBL3110932 0.79 PDE1A (0.53) PNPBRD4HPGDPARNCNOT7
SCHEMBL3115743 0.78 ALDH1A1 (0.51) PNPPDE4ABRD4HPGDKDM4E
SCHEMBL4624547 0.74 BRD4 (0.52) PNPBRD4HPGDKDM4EPOLB
SCHEMBL5078804 0.73 NPC1 (0.44) PDE4ABRD4SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257552-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS Aventis Pharma S.A. (FR) 2002-11-20 EP disclosed
WO-2001060824-A1 XANTHINE DERIVATIVES, INTERMEDIATES AND USE FOR TREATING OSTEOPOROSIS AVENTIS PHARMA S.A. (FR) 2001-08-23 WO disclosed