SCHEMBL9707996

SCHEMBL9707996

CCCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
RAB9A P51151 1/20 0.52
AGTR1 P30556 6/20 0.48
AGTR2 P50052 6/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CXCL8 P10145 1/20 0.45
NOD1 Q9Y239 1/20 0.45
TPH1 P17752 1/20 0.45
TPH2 Q8IWU9 1/20 0.45

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
SCHEMBL9707992 0.97 USP2 (0.51) USP2RAB9AAGTR1AGTR2ALDH1A1
SCHEMBL9708629 0.94 AGTR1 (0.48) USP2RAB9AAGTR1AGTR2ALDH1A1
SCHEMBL9708233 0.93 TPH1 (0.49) USP2RAB9AAGTR1AGTR2ALDH1A1
SCHEMBL9707289 0.92 MEN1 (0.52) AGTR1AGTR2MEN1KMT2ATPH1
SCHEMBL9708208 0.91 ALDH1A1 (0.49) USP2RAB9AAGTR1AGTR2ALDH1A1
SCHEMBL9708299 0.91 MEN1 (0.49) USP2RAB9AAGTR1AGTR2ALDH1A1
SCHEMBL9707286 0.90 AGTR1 (0.50) AGTR1AGTR2ALDH1A1MEN1KMT2A
SCHEMBL9708479 0.90 AGTR2 (0.46) AGTR1AGTR2MEN1KMT2A
SCHEMBL9708426 0.89 MEN1 (0.53) AGTR1AGTR2MEN1KMT2ATPH1
SCHEMBL9708458 0.89 KDM4E (0.46) USP2RAB9AAGTR1AGTR2ALDH1A1

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