SCHEMBL9707787

SCHEMBL9707787

COC(=O)Cn1c(=O)[nH]c2ncn(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 6/20 0.46
PARN O95453 1/20 0.46
KMT2A Q03164 1/20 0.44
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
PPARG P37231 3/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 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
SCHEMBL9708271 0.85 AGTR1 (0.42) KMT2AAGTR1AGTR2PPARGSMN1; SMN2
SCHEMBL9707624 0.84 AGTR1 (0.46) KMT2AAGTR1AGTR2PPARG
SCHEMBL9707753 0.83 AGTR1 (0.43) KMT2AAGTR1AGTR2PPARG
SCHEMBL9707560 0.83 PPARG (0.42) KMT2AAGTR1AGTR2PPARG
SCHEMBL9708766 0.83 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9708462 0.83 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9708592 0.82 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9707883 0.80 PPARG (0.42) KMT2AAGTR1AGTR2PPARG
SCHEMBL9707246 0.79 MEN1 (0.46) KMT2AAGTR1AGTR2PPARGALDH1A1
SCHEMBL9708858 0.78 CNOT7 (0.40) CNOT7PARNKMT2AAGTR1AGTR2

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