SCHEMBL9708220

SCHEMBL9708220

CC(C)c1nc2[nH]c(=O)n(C(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL9707618 0.91 AGTR1 (0.37) PPARG
SCHEMBL9707969 0.90 AGTR1 (0.41)
SCHEMBL9708637 0.89 PPARG (0.37) USP1PPARG
SCHEMBL9707421 0.88 AGTR1 (0.42)
SCHEMBL9707496 0.88 PPARG (0.34) PPARG
SCHEMBL9707407 0.88 GPR18 (0.39) USP1PPARG
SCHEMBL9708293 0.87 USP1 (0.39) USP1
SCHEMBL9707370 0.87 PPARG (0.36) USP1PPARG
SCHEMBL9707879 0.87 AGTR1 (0.46) PPARG
SCHEMBL9708314 0.87 ADORA2B (0.38) USP1PPARG

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