SCHEMBL9707509

SCHEMBL9707509

O=c1c2c(nc(C3CCCCC3)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(-c2ccccc2)c(=O)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.42
▸ AGTR2 P50052 5/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ DRD1 P21728 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL9708066 0.93 KMT2A (0.44) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9707343 0.93 KMT2A (0.44) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708513 0.92 PDE5A (0.42) AGTR1AGTR2KMT2A
SCHEMBL9707890 0.92 PDE5A (0.41) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9707937 0.92 PDE5A (0.41) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9707759 0.91 ADORA3 (0.44) AGTR1AGTR2KMT2A
SCHEMBL9707954 0.91 KMT2A (0.42) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708000 0.91 KMT2A (0.41) AGTR1AGTR2KMT2APOLBMAPK1
SCHEMBL9708192 0.91 ADORA3 (0.44) AGTR1AGTR2KMT2A
SCHEMBL9708163 0.90 KMT2A (0.40) AGTR1AGTR2KMT2APOLBMAPK1

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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