SCHEMBL9708926

SCHEMBL9708926

CCCc1nc2c(c(=O)[nH]c(=O)n2C(C)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.44
AGTR2 P50052 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9708267 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9708201 0.95 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708377 0.94 AGTR1 (0.43) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708834 0.90 MEN1 (0.39) AGTR1AGTR2MEN1KMT2A
SCHEMBL9707565 0.89 AGTR1 (0.44) AGTR1AGTR2MEN1KMT2A
SCHEMBL9707725 0.89 ALDH1A1 (0.40) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708293 0.88 USP1 (0.39) MEN1KMT2A
SCHEMBL9707421 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9707574 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9708129 0.87 AGTR1 (0.42) 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