SCHEMBL6161725

SCHEMBL6161725

O=C(Nc1cccs1)c1c[nH]c2c(c1=O)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
HSD17B10 Q99714 8/20 0.41
ALOX15 P16050 6/20 0.41
ALDH1A1 P00352 5/20 0.41
GFER P55789 4/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 11/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 7/20 0.39
HTT P42858 4/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCAT2 O15382 1/20 0.38
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6162255 0.98 MAPT (0.41) MAPTHSD17B10ALOX15ALDH1A1GFER
SCHEMBL7473453 0.81 MAPT (0.39) MAPTHSD17B10ALOX15ALDH1A1GFER
SCHEMBL6162731 0.80 HPGD (0.58) MAPTHSD17B10ALDH1A1HPGDMEN1
SCHEMBL7454498 0.80 CFTR (0.56) MAPTHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6161714 0.79 MAPT (0.40) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL6161593 0.77 ALDH1A1 (0.58) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL7679755 0.77 CFTR (0.56) MAPTHSD17B10ALDH1A1HPGDMEN1
SCHEMBL7447880 0.77 NPC1 (0.57) MAPTHSD17B10ALDH1A1HPGDGAA
SCHEMBL7454630 0.77 L3MBTL1 (0.43) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL6162665 0.76 ALDH1A1 (0.57) MAPTALDH1A1HPGDGAAMEN1

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