SCHEMBL9872186

SCHEMBL9872186

c1ccc(Oc2nnc(Oc3ccccc3)c3c2nc(C2CCCCC2)n3Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.40
AGTR2 P50052 6/20 0.40
TLR7 Q9NYK1 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TNK2 Q07912 2/20 0.34
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL9871921 0.94 AGTR2 (0.38) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9873513 0.89 TLR7 (0.42) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9871068 0.89 AGTR1 (0.39) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9873713 0.88 AGTR1 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9871757 0.88 AGTR1 (0.39) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874922 0.87 AGTR1 (0.41) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9873176 0.86 TLR7 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9872936 0.86 AGTR1 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9874274 0.85 AGTR2 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E
SCHEMBL9872289 0.85 AGTR1 (0.40) AGTR1AGTR2TLR7KMT2AKDM4E

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-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed