SCHEMBL9708838

SCHEMBL9708838

CC(C)(C)Cc1nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
TPH1 P17752 8/20 0.42
TPH2 Q8IWU9 8/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 3/20 0.41
TSHR P16473 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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 0.93 TPH1 (0.49) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708384 0.91 MEN1 (0.48) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9707269 0.91 MEN1 (0.51) MEN1KMT2ATPH1TPH2
SCHEMBL9708631 0.91 ALDH1A1 (0.47) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708930 0.90 MEN1 (0.50) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708307 0.90 MEN1 (0.47) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9707877 0.90 AGTR1 (0.42) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL9708617 0.89 MEN1 (0.42) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708270 0.89 MEN1 (0.49) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708208 0.88 ALDH1A1 (0.49) MEN1KMT2ATPH1TPH2ALDH1A1

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