SCHEMBL7443811

SCHEMBL7443811

Nc1[nH]c(=O)n(Cc2ccccc2)c(=O)c1N=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.53
LIG1 P18858 1/20 0.51
LIG3 P49916 1/20 0.51
LIG4 P49917 1/20 0.51
HPGD P15428 6/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.46
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
RGS12 O14924 1/20 0.39
USP2 O75604 1/20 0.39
TLR7 Q9NYK1 3/20 0.39
PNP P00491 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
SCHEMBL7443806 1.00 G6PD (0.53) G6PDLIG1LIG3LIG4HPGD
SCHEMBL1946059 0.85 ALDH1A1 (0.51) HPGDKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL4407466 0.80 G6PD (0.57) G6PDLIG1LIG3LIG4HPGD
SCHEMBL7436514 0.80 G6PD (0.57) G6PDLIG1LIG3LIG4HPGD
SCHEMBL1945517 0.75 ALDH1A1 (0.57) HPGDKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6464993 0.72 HPGD (0.53) HPGDKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28178755 0.72 ALDH1A1 (0.53) HPGDKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL1946628 0.71 KMT2A (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22105776 0.71 G6PD (0.53) G6PDLIG1LIG3LIG4HPGD
SCHEMBL1946195 0.70 PKM (0.47) HPGDALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed