SCHEMBL6204816

SCHEMBL6204816

CCOc1ccc2[nH]cc(C(=O)NCc3ccc(CN(C)c4ccccc4CC)cc3)c(=O)c2c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.73
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
MAPT P10636 7/20 0.59
TP53 P04637 2/20 0.59
KDM4E B2RXH2 3/20 0.54
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL6205973 0.87 POLB (0.85) POLBMEN1KMT2AMAPTTP53
SCHEMBL6228542 0.87 POLB (0.78) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205198 0.86 POLB (0.87) POLBMEN1KMT2AMAPTTP53
Hydrochloric Acid SCHEMBL6203637 0.86 POLB (0.77) POLBMEN1KMT2AMAPTTP53
SCHEMBL6204972 0.85 POLB (1.00) POLBMEN1KMT2AMAPTTP53
SCHEMBL6204810 0.85 POLB (0.88) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205369 0.84 POLB (0.84) POLBMEN1KMT2AMAPTTP53
SCHEMBL6204814 0.83 POLB (0.78) POLBMEN1KMT2AMAPTTP53
SCHEMBL6206443 0.82 POLB (0.79) POLBMEN1KMT2AMAPTTP53
SCHEMBL6228627 0.82 POLB (0.83) POLBMEN1KMT2AMAPTTP53

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