SCHEMBL6205212

SCHEMBL6205212

CCOc1ccc2[nH]cc(C(=O)NCc3cccc(F)c3)c(=O)c2c1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.80
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KDM4E B2RXH2 4/20 0.61
MAPT P10636 3/20 0.61
TP53 P04637 1/20 0.61
BACE1 P56817 4/20 0.57
HSD17B10 Q99714 3/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 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
SCHEMBL6227484 0.89 POLB (0.81) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6204972 0.89 POLB (1.00) POLBMEN1KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL6205615 0.89 POLB (0.80) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6204810 0.87 POLB (0.88) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6206443 0.84 POLB (0.79) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6205396 0.84 POLB (0.73) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6228627 0.84 POLB (0.83) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6206084 0.84 POLB (0.79) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6205607 0.83 POLB (0.75) POLBMEN1KMT2AKDM4EMAPT
SCHEMBL6205450 0.83 BACE1 (0.61) POLBBACE1LMNANPC1RAB9A

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