SCHEMBL6464993

SCHEMBL6464993

O=Nc1c([AsH2])[nH]c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
LMNA P02545 2/20 0.41
DAO P14920 1/20 0.41
PNP P00491 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
PSMD14 O00487 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1946059 0.83 ALDH1A1 (0.51) HPGDALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL1946617 0.74 HPGD (0.59) HPGDALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL7443806 0.72 G6PD (0.53) HPGDALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL7443811 0.72 G6PD (0.53) HPGDALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL2337883 0.70 HPGD (0.58) HPGDALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1945517 0.69 ALDH1A1 (0.57) HPGDALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL6982894 0.69 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL30877025 0.69 HPGD (1.00) HPGDALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL7836791 0.69 HPGD (0.57) HPGDALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL1946628 0.69 KMT2A (0.54) ALDH1A1KDM4ESMN1; 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-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO disclosed