SCHEMBL9708586

SCHEMBL9708586

O=c1[nH]c(=O)c2c(ncn2Cc2ccc(-c3ccccc3)cc2)[nH]1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 2/20 0.53
PARN O95453 1/20 0.53
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GDA Q9Y2T3 1/20 0.46
BRD4 O60885 3/20 0.45
HPGD P15428 1/20 0.44
DAO P14920 1/20 0.44
KMT2A Q03164 1/20 0.43
DPP4 P27487 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
PNP P00491 1/20 0.41
ADORA2B P29275 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL554897 0.92 CNOT7 (0.61) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL16028459 0.85 BRD4 (0.50) CNOT7PARNCYP11B1CYP11B2SMN1; SMN2
SCHEMBL27394380 0.81 GDA (0.48) CNOT7PARNCYP11B1CYP11B2ALDH1A1
SCHEMBL9708858 0.80 CNOT7 (0.40) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL27582867 0.78 CNOT7 (0.63) CNOT7PARNALDH1A1GDADAO
SCHEMBL21883489 0.77 SMN1; SMN2 (0.56) CNOT7PARNCYP11B1CYP11B2SMN1; SMN2
SCHEMBL7973938 0.77 CNOT7 (0.48) CNOT7PARNCYP11B1CYP11B2SMN1; SMN2
Hydrochloric Acid SCHEMBL7017127 0.77 VNN1 (0.44) CNOT7PARNSMN1; SMN2ALDH1A1GDA
SCHEMBL22800917 0.76 LMNA (0.46) CNOT7PARNALDH1A1GDAKMT2A
SCHEMBL7977499 0.76 CYP11B1 (0.48) CNOT7PARNCYP11B1CYP11B2SMN1; SMN2

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
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed