SCHEMBL9708270

SCHEMBL9708270

CCCCc1nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ AGTR2 P50052 10/20 0.49
▸ AGTR1 P30556 9/20 0.49
▸ TPH1 P17752 1/20 0.46
▸ TPH2 Q8IWU9 1/20 0.46
▸ HPGD P15428 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
SCHEMBL9708208 0.98 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9707286 0.95 AGTR1 (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9708930 0.95 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9708233 0.93 TPH1 (0.49) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9708384 0.93 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9708426 0.93 MEN1 (0.53) MEN1KMT2AAGTR2AGTR1TPH1
SCHEMBL9707594 0.92 AGTR1 (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9707992 0.91 USP2 (0.51) MEN1KMT2AALDH1A1AGTR2AGTR1
SCHEMBL9707289 0.90 MEN1 (0.52) MEN1KMT2AAGTR2AGTR1TPH1
SCHEMBL9707811 0.90 TPH1 (0.51) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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
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