SCHEMBL6205914

SCHEMBL6205914

CNCc1cccc(CNC(=O)c2c[nH]c3ccc(COC)cc3c2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
BACE1 P56817 3/20 0.53
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 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
SCHEMBL6205560 0.94 POLB (0.58) POLBBACE1LMNAKDM4EHSD17B10
SCHEMBL6206709 0.90 POLB (0.70) POLBLMNAKDM4EHSD17B10L3MBTL1
SCHEMBL6205644 0.84 POLB (0.55) POLBBACE1KDM4EHSD17B10NPC1
SCHEMBL6227484 0.83 POLB (0.81) POLBBACE1LMNAKDM4EHSD17B10
SCHEMBL6205917 0.83 ALDH1A1 (0.58) POLBBACE1HSD17B10NPC1RAB9A
Hydrochloric Acid SCHEMBL6205615 0.82 POLB (0.80) POLBBACE1LMNAKDM4EHSD17B10
SCHEMBL6229466 0.81 LMNA (0.69) POLBBACE1LMNAKDM4EHSD17B10
SCHEMBL6205412 0.81 ALDH1A1 (0.73) POLBLMNAKDM4EHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL6205976 0.81 LMNA (0.68) POLBBACE1LMNAKDM4EHSD17B10
SCHEMBL6229836 0.79 CFTR (0.61) POLBLMNAL3MBTL1NPC1RAB9A

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