SCHEMBL6205352

SCHEMBL6205352

COc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.82
L3MBTL1 Q9Y468 1/20 0.82
GABRP O00591 3/20 0.71
GABRD O14764 3/20 0.71
GABRA1 P14867 3/20 0.71
GABRB1 P18505 3/20 0.71
GABRG2 P18507 3/20 0.71
GABRB3 P28472 3/20 0.71
GABRA5 P31644 3/20 0.71
GABRA3 P34903 3/20 0.71
GABRA2 P47869 3/20 0.71
GABRB2 P47870 3/20 0.71
GABRA4 P48169 3/20 0.71
GABRE P78334 3/20 0.71
GABRA6 Q16445 3/20 0.71
GABRG1 Q8N1C3 3/20 0.71
GABRG3 Q99928 3/20 0.71
GABRQ Q9UN88 3/20 0.71
POLB P06746 3/20 0.71
KMT2A Q03164 2/20 0.66

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
SCHEMBL6206312 0.85 GABRP (0.69) LMNAL3MBTL1GABRPGABRDGABRA1
SCHEMBL30492028 0.84 L3MBTL1 (0.65) LMNAL3MBTL1POLBKMT2AALDH1A1
SCHEMBL29050140 0.84 L3MBTL1 (0.65) LMNAL3MBTL1POLBKMT2AALDH1A1
SCHEMBL396157 0.82 CFTR (0.67) LMNAL3MBTL1GABRA1GABRB1GABRA5
SCHEMBL6229836 0.81 CFTR (0.61) LMNAL3MBTL1POLBSMN1; SMN2CFTR
SCHEMBL6205660 0.81 ADORA2A (0.68) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL6204748 0.80 CFTR (0.60) LMNAL3MBTL1POLBSMN1; SMN2CFTR
SCHEMBL7742074 0.80 NHERF1 (0.62) LMNAL3MBTL1GABRPGABRDGABRA1
SCHEMBL6224870 0.79 CFTR (0.62) LMNAL3MBTL1POLBMAPTSMN1; SMN2
SCHEMBL6818435 0.79 POLB (0.67) LMNAL3MBTL1GABRPGABRDGABRA1

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 3 patents. 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
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP disclosed
US-6413956-B1 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS AND LOCALIZATION PROBES FOR GAMMA AMINOBUTYRIC ACID BRAIN RECEPTORS; ANXIETY, DEPRESSION, DOWN SYNDROME, SLEEP AND SEIZURE DISORDERS, OVERDOSE WITH BENZODIAZEPINE DRUGS AND MEMORY ENHANCEMENT NEUROGEN CORPORATION 2002-07-02 US disclosed