SCHEMBL9708049

SCHEMBL9708049

COC(C)n1c(=O)c2c(nc(C(C)C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(OC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL9707862 0.94 PPARG (0.37) USP1PPARG
SCHEMBL9708665 0.91 AGTR1 (0.38)
SCHEMBL9707857 0.91 ALDH1A1 (0.38) USP1
SCHEMBL9707685 0.91 PPARG (0.35) PPARG
SCHEMBL9707450 0.90 AGTR1 (0.41)
SCHEMBL9707769 0.89 ADORA3 (0.39) PPARG
SCHEMBL9708038 0.89 AGTR1 (0.35) USP1
SCHEMBL9708044 0.89 ALDH1A1 (0.38) USP1
SCHEMBL9707418 0.88 AGTR1 (0.36) PPARG
SCHEMBL9708547 0.88 AGTR1 (0.42)

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