SCHEMBL9707573

SCHEMBL9707573

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
USP2 O75604 1/20 0.40
DPP4 P27487 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
BRAF P15056 1/20 0.39
PIK3CG P48736 1/20 0.39
MAPT P10636 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
SCHEMBL9708117 0.93 DCTPP1 (0.43) DCTPP1SMN1; SMN2THRBUSP2KMT2A
SCHEMBL9707598 0.92 DCTPP1 (0.42) DCTPP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL9708292 0.92 ADORA3 (0.42) DCTPP1ADORA3
SCHEMBL9707506 0.92 ADORA3 (0.42) DCTPP1ADORA3
SCHEMBL9707578 0.91 DCTPP1 (0.41) DCTPP1KMT2AALDH1A1KDM4EMEN1
SCHEMBL9708690 0.91 MAPT (0.42) DPP4ALDH1A1KDM4EADORA3BRAF
SCHEMBL9708557 0.90 DCTPP1 (0.43) DCTPP1THRBUSP2KMT2AALDH1A1
SCHEMBL9708355 0.90 DCTPP1 (0.46) DCTPP1SMN1; SMN2THRBKCNH2TRPC4
SCHEMBL9708258 0.90 MAPT (0.43) SMN1; SMN2DPP4KMT2AALDH1A1KDM4E
SCHEMBL9708265 0.90 DCTPP1 (0.41) DCTPP1KMT2AALDH1A1KDM4EMEN1

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