SCHEMBL9708307

SCHEMBL9708307

Cn1c(=O)[nH]c(=O)c2c1nc(CC(C)(C)C)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TPH1 P17752 3/20 0.46
TPH2 Q8IWU9 3/20 0.46
BRAF P15056 1/20 0.45
TP53 P04637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CXCL8 P10145 2/20 0.44
NOD2 Q9HC29 2/20 0.44
NOD1 Q9Y239 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TNF P01375 1/20 0.44
MAPT P10636 1/20 0.44
G6PD P11413 1/20 0.44
HTT P42858 1/20 0.44
PAX8 Q06710 1/20 0.44
TLR9 Q9NR96 1/20 0.44
USP2 O75604 1/20 0.43

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 0.91 TPH1 (0.49) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9707269 0.91 MEN1 (0.51) MEN1KMT2ATPH1TPH2
SCHEMBL9708299 0.91 MEN1 (0.49) MEN1KMT2ATPH1TPH2BRAF
SCHEMBL9708838 0.90 MEN1 (0.44) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708221 0.89 MEN1 (0.41) MEN1KMT2ATPH1TPH2TP53
SCHEMBL9708629 0.89 AGTR1 (0.48) MEN1KMT2ATPH1TPH2BRAF
SCHEMBL9708631 0.89 ALDH1A1 (0.47) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9708617 0.89 MEN1 (0.42) MEN1KMT2ATPH1TPH2ALDH1A1
SCHEMBL9707992 0.87 USP2 (0.51) MEN1KMT2AALDH1A1RAB9AUSP2
SCHEMBL9707658 0.87 KMT2A (0.41) 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 2 patents. 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
WO-1992007894-A1 ETHER-KETONE-SULPHONE COPOLYMERS RAYCHEM LIMITED (GB) 1992-05-14 WO disclosed