SCHEMBL9708816

SCHEMBL9708816

COC(=O)Cn1c(=O)c2c(nc(C(C)C)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C(C)OC)c1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.35
KCNH2 Q12809 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
SCHEMBL9708435 0.95 PPARG (0.39) PPARGAGTR1AGTR2KMT2AKCNH2
SCHEMBL9708112 0.93 KMT2A (0.42) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9708464 0.93 KMT2A (0.39) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9707459 0.92 KMT2A (0.46) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9707539 0.92 AGTR1 (0.40) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9708371 0.91 KMT2A (0.44) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9707802 0.90 KMT2A (0.42) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9708484 0.90 AGTR1 (0.43) PPARGAGTR1AGTR2KMT2A
SCHEMBL9708309 0.90 KMT2A (0.40) PPARGAGTR1AGTR2KMT2AMEN1
SCHEMBL9707740 0.90 PPARG (0.35) PPARGAGTR1AGTR2

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