SCHEMBL27743966

SCHEMBL27743966

O=C1N=c2nc(NCc3ccccc3)[nH]c(=O)c2=N1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PNP P00491 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PDE9A O76083 4/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ TYMS P04818 2/20 0.46
▸ CLPP Q16740 1/20 0.46

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
SCHEMBL3304711 0.72 PNP (0.60) HPGDPKML3MBTL1PNPRECQL
SCHEMBL11760490 0.72 PNP (0.60) HPGDPKML3MBTL1PNPRECQL
SCHEMBL2623142 0.69 HPGD (0.52) HPGDPKML3MBTL1PNPRECQL
SCHEMBL31087175 0.69 HPGD (1.00) HPGDPKML3MBTL1CLPP
SCHEMBL6359272 0.69 PNP (0.92) HPGDPKML3MBTL1PNPRECQL
SCHEMBL2776453 0.69 PNP (0.62) HPGDPKML3MBTL1PNPRECQL
SCHEMBL18251 0.69 PNP (0.62) PNPXDH
SCHEMBL6356976 0.69 PNP (0.70) HPGDPKML3MBTL1PNPRECQL
SCHEMBL3670393 0.69 PNP (0.70) HPGDPKML3MBTL1PNPRECQL
SCHEMBL17550122 0.68 BRD4 (0.72) HPGDMEN1POLBKMT2AXDH

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
CN-100431607-C Medicinal composition for tumor body LANJIN BIOLOG ENGINEERING CO L (CN) 2008-11-12 — — CN disclosed
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