SCHEMBL6161714

SCHEMBL6161714

O=C(Nc1ccsc1)c1c[nH]c2c(c1=O)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
TP53 P04637 4/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CFTR P13569 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 1/20 0.37
PARP1 P09874 1/20 0.37
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
MAPK10 P53779 1/20 0.34

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
SCHEMBL7454498 0.83 CFTR (0.56) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7446235 0.81 TP53 (0.52) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7679755 0.81 CFTR (0.56) MAPTTP53SMN1; SMN2ALDH1A1CFTR
SCHEMBL7387142 0.80 RORC (0.37) CFTRKDM4ERORC
SCHEMBL6161725 0.79 MAPT (0.41) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL7446323 0.78 MAPT (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL6162613 0.77 ALDH1A1 (0.51) TP53NPC1RAB9AALDH1A1KDM4E
SCHEMBL7449715 0.77 TP53 (0.48) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL7676003 0.77 MAPT (0.62) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL6162255 0.77 MAPT (0.41) MAPTTP53SMN1; SMN2NPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056724-B1 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-05-25 EP claimed
US-6194427-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS NEUROGEN CORPORATION 2001-02-27 US claimed
EP-1056724-A2 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-12-06 EP claimed
WO-1999043661-A2 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-09-02 WO claimed
EP-1056724-B1 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-05-25 EP disclosed
US-6448259-B1 CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR GAMMA AMINOBUTYRIC ACID BINDING SITE, THE BENZODIAZEPINE RECEPTOR; ANXIETY, SLEEP AND SEIZURE DISORDERS SEDATIVE, ANXIOLYTIC AND ANTICONVULSANT ACTIVITY NEUROGEN CORPORATION 2002-09-10 US disclosed
US-6194427-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS; SLEEP DISORDERS; ANTICONVULSANTS NEUROGEN CORPORATION 2001-02-27 US disclosed
EP-1056724-A2 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-12-06 EP disclosed
WO-1999043661-A2 SUBSTITUTED CYCLOALKYL-4-OXONICOTINIC CARBOXAMIDES; GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 1999-09-02 WO disclosed