SCHEMBL9707791

SCHEMBL9707791

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.40
AGTR2 P50052 2/20 0.40
PPARG P37231 3/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL9708749 0.91 KMT2A (0.44) AGTR1AGTR2PPARGKMT2ALMNA
SCHEMBL9708548 0.90 PPARG (0.38) AGTR1AGTR2PPARGKMT2A
SCHEMBL9707476 0.90 TSHR (0.41) AGTR1AGTR2PPARGKMT2AGAA
SCHEMBL9708404 0.90 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9707465 0.89 KMT2A (0.44) AGTR1AGTR2PPARGKMT2ALMNA
SCHEMBL9707550 0.89 AGTR1 (0.40) AGTR1AGTR2PPARGKMT2AGAA
SCHEMBL9707548 0.89 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9707722 0.88 AGTR1 (0.39) AGTR1AGTR2ADORA3
SCHEMBL9707754 0.88 KMT2A (0.42) AGTR1AGTR2PPARGKMT2AKDM4E
SCHEMBL9708953 0.88 AGTR1 (0.50) AGTR1AGTR2PPARG

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