SCHEMBL6205420

SCHEMBL6205420

CCOc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.69
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 2/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 2/20 0.55
CFTR P13569 5/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL6204124 0.88 POLB (0.53) POLBCFTRLMNAL3MBTL1
SCHEMBL6205607 0.88 POLB (0.75) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205837 0.84 POLB (0.78) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205243 0.82 GABRP (0.68) POLBMEN1KMT2ACFTRLMNA
SCHEMBL6204972 0.82 POLB (1.00) POLBMEN1KMT2AMAPTTP53
SCHEMBL6205212 0.80 POLB (0.80) POLBMEN1KMT2AMAPTTP53
SCHEMBL6204810 0.79 POLB (0.88) POLBMEN1KMT2AMAPTTP53
SCHEMBL6161505 0.79 POLB (0.47) POLBMEN1KMT2AMAPTTP53
SCHEMBL6163159 0.79 POLB (0.47) POLBMEN1KMT2AMAPTTP53
SCHEMBL30492092 0.77 CFTR (0.73) POLBMEN1KMT2ATP53CFTR

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