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Sugi Predict / Compounds / SCHEMBL9707731

SCHEMBL9707731

SCHEMBL9707731

O=c1[nH]c2nc(C3CCCCC3)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2c(=O)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 5/20 0.41
▸ AGTR2 P50052 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ PPARG P37231 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 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
SCHEMBL9707463 0.89 KMT2A (0.45) AGTR1AGTR2KMT2APPARGMEN1
SCHEMBL9707737 0.88 KMT2A (0.43) AGTR1AGTR2KMT2APPARGKDM4E
SCHEMBL9708395 0.88 KMT2A (0.42) AGTR1AGTR2KMT2APPARG
SCHEMBL9708760 0.88 KMT2A (0.49) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9708489 0.88 AGTR1 (0.41) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9708761 0.87 ADORA3 (0.43) AGTR1AGTR2KMT2APPARG
SCHEMBL9707509 0.87 AGTR1 (0.42) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9707895 0.86 KMT2A (0.41) AGTR1AGTR2KMT2APPARGKDM4E
SCHEMBL9707730 0.86 KMT2A (0.39) AGTR1AGTR2KMT2APPARG
SCHEMBL9708507 0.85 AGTR1 (0.39) AGTR1AGTR2KMT2APPARG

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