SCHEMBL9016540

SCHEMBL9016540

CCc1nc2c(C)c(Br)c(C)nc2n1-c1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
ESR2 Q92731 1/20 0.36
SLC6A9 P48067 1/20 0.36
NR3C1 P04150 1/20 0.35
KDM5A P29375 1/20 0.33
ACHE P22303 1/20 0.33
AGTR1 P30556 1/20 0.33
XDH P47989 1/20 0.33
TRPA1 O75762 1/20 0.33
APLNR P35414 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA2 P47869 1/20 0.32
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9016542 0.93 PPARG (0.46) PPARGGRIA2GRIA4ESR2NR3C1
SCHEMBL9016396 0.91 APLNR (0.42) PPARGGRIA2GRIA4ESR2ACHE
SCHEMBL9016524 0.90 PPARG (0.41) PPARGGRIA2GRIA4ESR2SLC6A9
SCHEMBL8878496 0.85 PPARG (0.51) PPARGAGTR1
SCHEMBL9016422 0.83 PPARG (0.48) PPARGGRIA2GRIA4ESR2NR3C1
SCHEMBL9016411 0.83 SLC6A9 (0.40) PPARGGRIA2GRIA4ESR2SLC6A9
SCHEMBL8873723 0.82 ESR2 (0.34) PPARGESR2NR3C1AGTR1TRPA1
SCHEMBL9016415 0.82 AGTR1 (0.46) AGTR1
SCHEMBL9016466 0.81 APLNR (0.44) PPARGESR2ACHEAGTR1APLNR
SCHEMBL8873625 0.80 SLC6A3 (0.47) ACHEAGTR1

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