SCHEMBL8715608

SCHEMBL8715608

CSc1cc(=O)c2cc(Br)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 13/20 0.55
GABRD O14764 13/20 0.55
GABRA1 P14867 13/20 0.55
GABRB1 P18505 13/20 0.55
GABRG2 P18507 13/20 0.55
GABRB3 P28472 13/20 0.55
GABRA5 P31644 13/20 0.55
GABRA3 P34903 13/20 0.55
GABRA2 P47869 13/20 0.55
GABRB2 P47870 13/20 0.55
GABRA4 P48169 13/20 0.55
GABRE P78334 13/20 0.55
GABRA6 Q16445 13/20 0.55
GABRG1 Q8N1C3 13/20 0.55
GABRG3 Q99928 13/20 0.55
GABRQ Q9UN88 13/20 0.55
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL3535819 0.83 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7807939 0.81 MAPT (0.56) MAPTTP53CYP3A4MAPK1CSNK2A2
SCHEMBL27541790 0.80 MAPT (0.55) MAPTTP53CYP3A4MAPK1RECQL
SCHEMBL3281749 0.77 ALDH1A1 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13978681 0.77 TP53 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7800229 0.74 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28887674 0.73 ESR2 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15265273 0.72 CA12 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8715304 0.72 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5225235 0.71 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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
WO-1998027080-A1 CHROMONES USEFUL AS FUNGICIDES AGREVO UK LIMITED (GB) 1998-06-25 WO disclosed