SCHEMBL14018441

SCHEMBL14018441

O=[N+]([O-])c1ccc(-c2ccc(Cl)s2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM1A O60341 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
APP P05067 1/20 0.43
MAPT P10636 6/20 0.43
ALOX12 P18054 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL3156019 0.78 MAPT (0.52) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL5903956 0.77 KDM4E (0.51) LMNAKMT2AALDH1A1MEN1NPC1
SCHEMBL11067956 0.74 MAPT (0.46) LMNAKMT2AALDH1A1MEN1NPC1
SCHEMBL14340900 0.74 SLC2A1 (0.40) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL6510195 0.73 MAPT (0.54) LMNAKMT2AALDH1A1MEN1NPC1
SCHEMBL8974165 0.73 NPC1 (0.53) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL5903966 0.73 CYP2C19 (0.49) LMNAKMT2AMEN1NPSR1NPC1
SCHEMBL27617094 0.72 RAB9A (0.56) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL29392607 0.71 KMT2A (0.50) LMNAKMT2AALDH1A1MEN1NPSR1
SCHEMBL3024397 0.71 MAPT (0.53) LMNAKMT2AALDH1A1MEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 EP disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 US disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 US disclosed