SCHEMBL6204734

SCHEMBL6204734

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 3/20 0.67
HSD17B10 Q99714 4/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.61
TP53 P04637 2/20 0.61
ESR1 P03372 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
HTT P42858 2/20 0.57
GAA P10253 1/20 0.57
USP2 O75604 1/20 0.57

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
SCHEMBL6204017 0.93 KDM4E (0.86) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL7738722 0.89 KDM4E (0.81) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL6204768 0.89 KDM4E (0.80) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL7740429 0.88 KDM4E (0.78) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL6204485 0.84 KDM4E (0.72) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL6205159 0.84 L3MBTL1 (0.74) KDM4EMEN1KMT2AL3MBTL1POLB
SCHEMBL6204810 0.82 POLB (0.88) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL7738707 0.82 POLB (0.70) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL6204972 0.80 POLB (1.00) KDM4EMEN1KMT2APOLBHSD17B10
SCHEMBL6228627 0.79 POLB (0.83) KDM4EMEN1KMT2APOLBHSD17B10

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