SCHEMBL6205560

SCHEMBL6205560

CNCc1ccc(CNC(=O)c2c[nH]c3ccc(COC)cc3c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.58
LMNA P02545 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 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
SCHEMBL6205914 0.94 POLB (0.57) POLBLMNAKDM4EHSD17B10SMN1; SMN2
SCHEMBL6206709 0.91 POLB (0.70) POLBLMNAKDM4EHSD17B10MAPT
SCHEMBL6229466 0.87 LMNA (0.69) POLBLMNAKDM4EHSD17B10BACE1
Hydrochloric Acid SCHEMBL6205976 0.86 LMNA (0.68) POLBLMNAKDM4EHSD17B10BACE1
SCHEMBL6230550 0.84 NHERF1 (0.68) POLBMAPTTDP1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6206076 0.83 NHERF1 (0.67) POLBMAPTTDP1SMN1; SMN2TP53
SCHEMBL6228627 0.83 POLB (0.83) POLBLMNAKDM4EHSD17B10MAPT
SCHEMBL6229836 0.83 CFTR (0.61) POLBLMNASMN1; SMN2L3MBTL1NPC1
SCHEMBL6205412 0.83 ALDH1A1 (0.73) POLBLMNAKDM4EHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL6205263 0.82 POLB (0.81) POLBLMNAKDM4EHSD17B10MAPT

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