SCHEMBL9707926

SCHEMBL9707926

CCCc1nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 9/20 0.46
AGTR1 P30556 9/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9707742 0.95 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9708479 0.94 AGTR2 (0.46) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708587 0.93 AGTR1 (0.45) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708221 0.89 MEN1 (0.41) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708124 0.89 MEN1 (0.55) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708629 0.89 AGTR1 (0.48) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708930 0.89 MEN1 (0.50) AGTR2AGTR1MEN1KMT2A
SCHEMBL9707811 0.88 TPH1 (0.51) AGTR2AGTR1MEN1KMT2A
SCHEMBL9707828 0.88 KDM4E (0.42) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708148 0.88 AGTR1 (0.45) AGTR2AGTR1

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