SCHEMBL27361797

SCHEMBL27361797

CCCCc1nc2ccc3ccccc3c2n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.50
PPARG P37231 1/20 0.48
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AGTR2 P50052 2/20 0.44
AGTR1 P30556 1/20 0.44

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
SCHEMBL9443042 0.86 PPARG (0.49) TLR7PPARGAGTR2AGTR1
SCHEMBL9442994 0.85 PPARG (0.50) TLR7PPARGAGTR2AGTR1
SCHEMBL27528971 0.84 PPARG (0.55) PPARGAGTR2AGTR1
SCHEMBL9442984 0.84 PPARG (0.51) TLR7PPARGAGTR2AGTR1
SCHEMBL9443089 0.84 PPARG (0.51) TLR7PPARGAGTR2AGTR1
SCHEMBL9443062 0.84 AGTR1 (0.49) TLR7PPARGAGTR2AGTR1
SCHEMBL9443092 0.84 PPARG (0.68) PPARGAGTR2AGTR1
SCHEMBL9638129 0.81 PPARG (0.57) PPARGAGTR2AGTR1
SCHEMBL9847780 0.80 PPARG (0.56) PPARGAGTR2AGTR1
SCHEMBL9851425 0.80 AGTR1 (0.56) PPARGPDE4APDE4BPDE4CPDE4D

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
CN-1051358-A Condensed imdazole derivatives and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-05-15 CN disclosed