SCHEMBL9874735

SCHEMBL9874735

Oc1nnc(CCc2ccccc2)c2nc(C3CCCCC3)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.40
AGTR2 P50052 7/20 0.40
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
BRS3 P32247 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL9872006 0.94 AGTR1 (0.41) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9871043 0.92 AGTR2 (0.40) AGTR1AGTR2
SCHEMBL9871710 0.91 AGTR1 (0.42) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872036 0.91 AGTR1 (0.41) AGTR1AGTR2TLR7
SCHEMBL9873145 0.88 AGTR1 (0.39) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872125 0.88 AGTR1 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9873884 0.88 AGTR1 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872288 0.88 AGTR1 (0.37) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9874786 0.87 AGTR1 (0.40) AGTR1AGTR2KMT2AKDM4EMEN1
SCHEMBL9872996 0.87 AGTR1 (0.41) AGTR1AGTR2KMT2AKDM4EMEN1

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