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SCHEMBL9707992

SCHEMBL9707992

CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ AGTR2 P50052 9/20 0.51
▸ AGTR1 P30556 8/20 0.51
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL9707996 0.97 USP2 (0.52) USP2RAB9AAGTR2AGTR1MEN1
SCHEMBL9708629 0.95 AGTR1 (0.48) USP2RAB9AAGTR2AGTR1MEN1
SCHEMBL9707286 0.93 AGTR1 (0.50) AGTR2AGTR1MEN1KMT2AALDH1A1
SCHEMBL9708426 0.92 MEN1 (0.53) AGTR2AGTR1MEN1KMT2A
SCHEMBL9708299 0.91 MEN1 (0.49) USP2RAB9AAGTR2AGTR1MEN1
SCHEMBL9708270 0.91 MEN1 (0.49) AGTR2AGTR1MEN1KMT2AALDH1A1
SCHEMBL9708233 0.90 TPH1 (0.49) USP2RAB9AAGTR2AGTR1MEN1
SCHEMBL9707742 0.90 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9707289 0.89 MEN1 (0.52) AGTR2AGTR1MEN1KMT2A
SCHEMBL9707594 0.89 AGTR1 (0.47) AGTR2AGTR1MEN1KMT2AALDH1A1

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