SCHEMBL6205837

SCHEMBL6205837

CCOc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.78
MAPT P10636 3/20 0.66
TP53 P04637 2/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CFTR P13569 3/20 0.58
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55

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
SCHEMBL6204810 0.90 POLB (0.88) POLBMAPTTP53MEN1KMT2A
SCHEMBL6206312 0.88 GABRP (0.69) POLBTP53MEN1KMT2ACFTR
SCHEMBL6204972 0.88 POLB (1.00) POLBMAPTTP53MEN1KMT2A
SCHEMBL30492092 0.85 CFTR (0.73) POLBTP53MEN1KMT2ACFTR
SCHEMBL29050153 0.85 CFTR (0.73) POLBTP53MEN1KMT2ACFTR
SCHEMBL6228627 0.85 POLB (0.83) POLBMAPTTP53MEN1KMT2A
SCHEMBL6224870 0.85 CFTR (0.62) POLBMAPTCFTRLMNAL3MBTL1
SCHEMBL6229836 0.84 CFTR (0.61) POLBCFTRLMNAL3MBTL1ADORA2A
SCHEMBL6205420 0.84 POLB (0.69) POLBMAPTTP53MEN1KMT2A
SCHEMBL6205198 0.84 POLB (0.87) POLBMAPTTP53MEN1KMT2A

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