SCHEMBL6161274

SCHEMBL6161274

Cc1csc(NC(=O)c2c[nH]c3c(c2=O)CCCC3)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 12/20 0.52
ALDH1A1 P00352 7/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 3/20 0.47
STAT3 P40763 1/20 0.47
STAT1 P42224 1/20 0.47
ATM Q13315 1/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RCE1 Q9Y256 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 2/20 0.46

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
SCHEMBL6162104 0.98 RAB9A (0.53) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL6161593 0.79 ALDH1A1 (0.58) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL6162665 0.78 ALDH1A1 (0.57) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL6160655 0.77 ALDH1A1 (0.55) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL6161714 0.74 MAPT (0.40) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL6161725 0.73 MAPT (0.41) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL7454498 0.72 CFTR (0.56) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL6162255 0.71 MAPT (0.41) RAB9AKMT2ANPC1ALDH1A1LMNA
SCHEMBL7446235 0.70 TP53 (0.52) RAB9AKMT2ANPC1LMNAMEN1
SCHEMBL7446323 0.70 MAPT (0.64) RAB9ANPC1ALDH1A1LMNAHPGD

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