SCHEMBL9528858

SCHEMBL9528858

O=c1[nH]c(-c2ccc3c(c2)OCO3)ccc1-c1nnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PDE10A Q9Y233 2/20 0.43
PTPRC P08575 1/20 0.41
SNCA P37840 1/20 0.40
DCUN1D1 Q96GG9 2/20 0.40
BCL2L1 Q07817 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
LMNA P02545 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
PTGS2 P35354 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL12892195 0.80 DCUN1D1 (0.54) TNKSPARP1TNKS2DCUN1D1KDM4E
SCHEMBL9525656 0.79 NOTUM (0.40) KDM4EPKM
SCHEMBL9525928 0.78 CYP11B1 (0.33) ALDH1A1HPGDTBK1
SCHEMBL9251638 0.78 PTGER3 (0.46)
SCHEMBL9700393 0.76
SCHEMBL9701671 0.75 BRD4 (0.42) KDM4EALDH1A1HPGDLMNA
SCHEMBL9700756 0.75 SNCA (0.37) SNCADCUN1D1KDM4EALDH1A1HPGD
SCHEMBL9754463 0.75 PTGER3 (0.39)
SCHEMBL9700635 0.72 GAA (0.39) KDM4EALDH1A1HPGDLMNAFYN
SCHEMBL9700701 0.72 NOTUM (0.41) KDM4EALDH1A1LMNANISCHPTGS2

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed