SCHEMBL6205159

SCHEMBL6205159

CCOCCCNC(=O)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.74
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 3/20 0.71
KMT2A Q03164 3/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 2/20 0.58
ESR1 P03372 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.56
CFTR P13569 3/20 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
SCHEMBL7135416 0.85 GABRA1 (0.64) L3MBTL1MAPTLMNACFTR
SCHEMBL18229443 0.84 GABRA1 (0.63) L3MBTL1POLBMAPTLMNACFTR
SCHEMBL18229444 0.84 CFTR (0.63) L3MBTL1LMNACFTR
SCHEMBL6204734 0.84 KDM4E (1.00) L3MBTL1KDM4EALDH1A1KMT2AHPGD
SCHEMBL6204485 0.82 KDM4E (0.72) L3MBTL1KDM4EALDH1A1KMT2AHPGD
SCHEMBL13894536 0.82 CFTR (0.58) L3MBTL1LMNACFTR
SCHEMBL6206536 0.81 ALDH1A1 (0.77) L3MBTL1KDM4EALDH1A1KMT2AHPGD
SCHEMBL20147105 0.81 CFTR (0.66) L3MBTL1POLBLMNACFTR
SCHEMBL6205659 0.81 LMNA (0.56) L3MBTL1KDM4EKMT2AMEN1MAPK1
SCHEMBL10244787 0.77 HDAC1 (0.67) KMT2AHPGDMEN1POLBMAPT

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 4 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
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 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