SCHEMBL9873587

SCHEMBL9873587

COc1nnc(O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
AGTR1 P30556 5/20 0.38
AGTR2 P50052 5/20 0.38
PPARG P37231 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9873513 0.94 TLR7 (0.42) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9872041 0.92 TLR7 (0.38) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9871710 0.92 AGTR1 (0.42) TLR7AGTR1AGTR2KMT2AKDM4E
SCHEMBL9875174 0.92 AGTR2 (0.38) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9872666 0.92 AGTR1 (0.39) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9874313 0.91 AGTR2 (0.38) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9871921 0.91 AGTR2 (0.38) TLR7AGTR1AGTR2PPARGKMT2A
SCHEMBL9873063 0.91 AGTR2 (0.39) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9872288 0.90 AGTR1 (0.37) TLR7AGTR1AGTR2PPARGCYP3A4
SCHEMBL9871720 0.89 AGTR1 (0.38) TLR7AGTR1AGTR2PPARGCYP3A4

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