SCHEMBL9708094

SCHEMBL9708094

Cc1nc2[nH]c(=O)n(-c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9707713 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9707370 0.89 PPARG (0.36) AGTR1AGTR2MEN1KMT2ANPC1
SCHEMBL9707747 0.88 KDM4E (0.44) AGTR1AGTR2KDM4EHPGD
SCHEMBL9707897 0.88 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9708298 0.88 ADORA2B (0.40) AGTR1AGTR2MEN1KMT2AKDM4E
SCHEMBL9707610 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9707625 0.87 KDM4E (0.41) AGTR1AGTR2MEN1KMT2AKDM4E
SCHEMBL9707621 0.87 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9708402 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9708605 0.86 ADORA2B (0.42) AGTR1AGTR2

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