SCHEMBL9707864

SCHEMBL9707864

COCCn1c(=O)c2c(nc(C(C)C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.46
USP1 O94782 6/20 0.42
KCNH2 Q12809 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DPP4 P27487 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9707871 0.95 ADORA3 (0.42) DCTPP1USP1KMT2AMEN1
SCHEMBL9708054 0.94 USP1 (0.42) DCTPP1USP1THRBKMT2AMEN1
SCHEMBL9707692 0.92 ADORA3 (0.40) DCTPP1USP1KMT2AMEN1
SCHEMBL9707777 0.92 ADORA3 (0.42) USP1
SCHEMBL9707508 0.92 ADORA3 (0.42) USP1
SCHEMBL9707745 0.91 ADORA2A (0.39) DCTPP1USP1KMT2AMEN1
SCHEMBL9708648 0.91 ADORA1 (0.42) USP1RAB9ADPP4
SCHEMBL9708047 0.91 USP1 (0.39) DCTPP1USP1KMT2AMEN1
SCHEMBL9708021 0.91 ADORA3 (0.42) DCTPP1USP1KMT2AMEN1SMN1; SMN2
SCHEMBL9707419 0.91 ADORA3 (0.42) DCTPP1USP1KMT2AMEN1SMN1; SMN2

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