SCHEMBL7459368

SCHEMBL7459368

O=C(Cl)Oc1cc(=O)c2cc(F)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 10/20 0.50
GABRD O14764 10/20 0.50
GABRA1 P14867 10/20 0.50
GABRB1 P18505 10/20 0.50
GABRG2 P18507 10/20 0.50
GABRB3 P28472 10/20 0.50
GABRA5 P31644 10/20 0.50
GABRA3 P34903 10/20 0.50
GABRA2 P47869 10/20 0.50
GABRB2 P47870 10/20 0.50
GABRA4 P48169 10/20 0.50
GABRE P78334 10/20 0.50
GABRA6 Q16445 10/20 0.50
GABRG1 Q8N1C3 10/20 0.50
GABRG3 Q99928 10/20 0.50
GABRQ Q9UN88 10/20 0.50
TNKS O95271 1/20 0.48
NQO1 P15559 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2318178 0.87 TNKS (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7461187 0.80 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5206777 0.77 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29120190 0.73 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29627450 0.72 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28739800 0.72 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9752059 0.72 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2318176 0.72 ALDH1A1 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5972188 0.72 KMT2A (0.53) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL30224994 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739892-B1 Chromone derivatives NOVARTIS AG (CH) 2002-09-25 EP disclosed
EP-0739892-A2 Chromone derivatives CIBA-GEIGY AG (CH) 1996-10-30 EP disclosed