SCHEMBL6204485

SCHEMBL6204485

CCOCCCNC(=O)c1c[nH]c2ccc(COC)cc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
L3MBTL1 Q9Y468 2/20 0.66
ALDH1A1 P00352 4/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPK1 P28482 2/20 0.59
ESR1 P03372 1/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 5/20 0.56
POLB P06746 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ATM Q13315 1/20 0.51

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
SCHEMBL6204734 0.84 KDM4E (1.00) KDM4EL3MBTL1ALDH1A1HSD17B10MAPK1
SCHEMBL6205159 0.82 L3MBTL1 (0.74) KDM4EL3MBTL1ALDH1A1HSD17B10MAPK1
SCHEMBL6204017 0.81 KDM4E (0.86) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL6205560 0.79 POLB (0.58) KDM4EL3MBTL1HSD17B10LMNAMAPT
SCHEMBL6206709 0.79 POLB (0.70) KDM4EL3MBTL1ALDH1A1HSD17B10HPGD
SCHEMBL6204487 0.77 GABRA1 (0.51) KDM4EHSD17B10LMNAPOLB
SCHEMBL6205914 0.76 POLB (0.57) KDM4EL3MBTL1ALDH1A1HSD17B10MAPK1
SCHEMBL6205915 0.76 GABRA1 (0.56) POLB
SCHEMBL6205412 0.75 ALDH1A1 (0.73) KDM4EL3MBTL1ALDH1A1HSD17B10MAPK1
SCHEMBL17338616 0.73 GABRA1 (0.63) KDM4EHSD17B10LMNAPOLB

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