SCHEMBL3244745

SCHEMBL3244745

C#Cc1ccc2[nH]c(=O)c3[nH]cc(OC(=O)OCC)c3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.36
GABRA3 P34903 5/20 0.36
GABRG2 P18507 4/20 0.36
GABRB3 P28472 4/20 0.36
GABRA5 P31644 4/20 0.36
GABRA2 P47869 4/20 0.36
GABRA4 P48169 3/20 0.36
GABRA6 Q16445 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GABRB2 P47870 2/20 0.34
GABRB1 P18505 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CLEC4M Q9H2X3 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL3245670 0.87 CSF1R (0.37) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL3245150 0.86 GABRA1 (0.50) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL3249647 0.84 CHEK1 (0.37) ALDH1A1HPGDHSD17B10MEN1TP53
SCHEMBL3255332 0.84 ADORA3 (0.40) GABRA1GABRA3ALDH1A1HPGDHSD17B10
SCHEMBL3245727 0.84 GABRA1 (0.50) GABRA1GABRA3ALDH1A1HPGDHSD17B10
SCHEMBL3252529 0.84 ALDH1A1 (0.47) GABRA1GABRA3ALDH1A1HPGDHSD17B10
SCHEMBL3248921 0.84 ALDH1A1 (0.41) GABRA1ALDH1A1HPGDHSD17B10MEN1
SCHEMBL3255435 0.83 GABRA1 (0.45) GABRA1GABRA3GABRG2GABRB3GABRA5
SCHEMBL3250586 0.82 HSD17B10 (0.37) GABRA1GABRA3ALDH1A1HPGDHSD17B10
SCHEMBL3243057 0.82 CHEK1 (0.37) GABRA1GABRA3ALDH1A1HPGDHSD17B10

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed