SCHEMBL5407130

SCHEMBL5407130

CC(=O)c1c(C(=O)O)ccc(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL28950924 0.88 KDM4E (0.52) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL5407133 0.85 KDM4E (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL976779 0.84 GABRP (0.41) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL27855771 0.82 KDM4E (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL10912988 0.81 HSD17B10 (0.43) KDM4EHSD17B10TP53KMT2AALDH1A1
SCHEMBL2382402 0.80 ALDH1A1 (0.41) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL27554808 0.80 HAAO (0.41) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL2930434 0.79 KDM4E (0.50) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL30374425 0.78 KDM4E (0.48) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL1457096 0.78 KDM4E (0.48) KDM4EGABRPGABRDGABRA1GABRB1

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-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 US disclosed