SCHEMBL9707269

SCHEMBL9707269

CCn1c(=O)[nH]c(=O)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TPH2 Q8IWU9 19/20 0.47
TPH1 P17752 18/20 0.47

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
SCHEMBL9707703 0.94 TPH1 (0.49) MEN1KMT2ATPH2TPH1
SCHEMBL9708297 0.91 MEN1 (0.54) MEN1KMT2ATPH2TPH1
SCHEMBL9708617 0.91 MEN1 (0.42) MEN1KMT2ATPH2TPH1
SCHEMBL9708838 0.91 MEN1 (0.44) MEN1KMT2ATPH2TPH1
SCHEMBL9708307 0.91 MEN1 (0.47) MEN1KMT2ATPH2TPH1
SCHEMBL9708124 0.90 MEN1 (0.55) MEN1KMT2ATPH2TPH1
SCHEMBL9708631 0.90 ALDH1A1 (0.47) MEN1KMT2ATPH2TPH1
SCHEMBL9707658 0.90 KMT2A (0.41) MEN1KMT2ATPH2TPH1
SCHEMBL9708313 0.89 MEN1 (0.44) MEN1KMT2ATPH2TPH1
SCHEMBL9708221 0.89 MEN1 (0.41) MEN1KMT2ATPH2TPH1

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