SCHEMBL9708858

SCHEMBL9708858

O=c1[nH]c(=O)c2c(ncn2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 3/20 0.40
PARN O95453 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GDA Q9Y2T3 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.34
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
BRD4 O60885 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL7987964 0.82 PARN (0.37) CNOT7PARNALDH1A1SMN1; SMN2AGTR1
SCHEMBL9707720 0.80 AGTR1 (0.43) AGTR1AGTR2DPP4
SCHEMBL9708586 0.80 CNOT7 (0.53) CNOT7PARNALDH1A1SMN1; SMN2GDA
SCHEMBL7987958 0.80 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2HPGDKMT2AAGTR1
SCHEMBL9707628 0.79 AGTR1 (0.50) AGTR1AGTR2DPP4
SCHEMBL9708173 0.79 AGTR1 (0.41) AGTR1AGTR2DPP4
SCHEMBL9707797 0.78 DPP4 (0.41) AGTR1AGTR2DPP4
SCHEMBL9707787 0.78 CNOT7 (0.46) CNOT7PARNALDH1A1SMN1; SMN2KMT2A
SCHEMBL554897 0.78 CNOT7 (0.61) CNOT7PARNALDH1A1SMN1; SMN2GDA
SCHEMBL9708752 0.78 AGTR1 (0.51) AGTR1AGTR2

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