SCHEMBL9016542

SCHEMBL9016542

CCCc1nc2c(C)c(Br)c(C)nc2n1-c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
APLNR P35414 1/20 0.36
ACHE P22303 1/20 0.35
AGTR1 P30556 4/20 0.35
ESR2 Q92731 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
AGTR2 P50052 3/20 0.33
NR3C1 P04150 1/20 0.33
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 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
SCHEMBL9016396 0.94 APLNR (0.42) PPARGAPLNRACHEAGTR1ESR2
SCHEMBL9016540 0.93 PPARG (0.39) PPARGAPLNRACHEAGTR1ESR2
SCHEMBL9016422 0.91 PPARG (0.48) PPARGAPLNRACHEAGTR1ESR2
SCHEMBL9016466 0.85 APLNR (0.44) PPARGAPLNRACHEAGTR1ESR2
SCHEMBL8872118 0.84 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL9016423 0.84 PPARG (0.46) PPARGAPLNRACHEAGTR1ESR2
SCHEMBL9016524 0.83 PPARG (0.41) PPARGAPLNRACHEAGTR1ESR2
SCHEMBL9016428 0.83 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL8873723 0.80 ESR2 (0.34) PPARGAGTR1ESR2AGTR2NR3C1
SCHEMBL8877756 0.79 PPARG (0.55) PPARGACHEAGTR1AGTR2

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
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US disclosed