SCHEMBL6206312

SCHEMBL6206312

COc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.69
GABRD O14764 1/20 0.69
GABRA1 P14867 1/20 0.69
GABRB1 P18505 1/20 0.69
GABRG2 P18507 1/20 0.69
GABRB3 P28472 1/20 0.69
GABRA5 P31644 1/20 0.69
GABRA3 P34903 1/20 0.69
GABRA2 P47869 1/20 0.69
GABRB2 P47870 1/20 0.69
GABRA4 P48169 1/20 0.69
GABRE P78334 1/20 0.69
GABRA6 Q16445 1/20 0.69
GABRG1 Q8N1C3 1/20 0.69
GABRG3 Q99928 1/20 0.69
GABRQ Q9UN88 1/20 0.69
ADORA2A P29274 1/20 0.66
ADORA1 P30542 1/20 0.66
POLB P06746 2/20 0.65
LMNA P02545 3/20 0.64

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
SCHEMBL6205837 0.88 POLB (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6204181 0.87 POLB (0.80) POLBLMNAMEN1NPC1RAB9A
SCHEMBL6229836 0.86 CFTR (0.61) ADORA2AADORA1POLBLMNAL3MBTL1
SCHEMBL6205660 0.86 ADORA2A (0.68) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL6204748 0.85 CFTR (0.60) ADORA2AADORA1POLBLMNAL3MBTL1
SCHEMBL6205352 0.85 LMNA (0.82) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7742074 0.85 NHERF1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6224870 0.84 CFTR (0.62) ADORA2AADORA1POLBLMNAL3MBTL1
SCHEMBL6229466 0.84 LMNA (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6204753 0.84 GABRP (0.67) 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
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed