SCHEMBL3141184

SCHEMBL3141184

C#Cc1cc2cc(OC(=O)O)[nH]c2cn1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30

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
SCHEMBL3145657 0.87 CHEK1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3136216 0.78
SCHEMBL3137099 0.78 NR3C1 (0.34)
SCHEMBL2108929 0.78 GPR35 (0.47)
SCHEMBL3138608 0.78 CHEK1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3127269 0.77 CHEK1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2107063 0.70 KDM4E (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4038601 0.70 DAO (0.51)
SCHEMBL1824754 0.69 HCAR2 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL112135 0.68 GPR35 (0.55)

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
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP claimed