SCHEMBL8108318

SCHEMBL8108318

O=C1Cc2ccccc2C=[N+]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
MAOA P21397 3/20 0.39
MAOB P27338 2/20 0.39
CYP2A6 P11509 1/20 0.35
TRPA1 O75762 1/20 0.35
CES1 P23141 2/20 0.34
BCHE P06276 1/20 0.34
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
ANPEP P15144 3/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP9 P55211 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
MAP3K14 Q99558 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL186350 0.65 CYP1A2 (0.46) CYP1A2MAOAMAOBCYP2A6TRPA1
SCHEMBL29421729 0.64 GSK3A (0.46) CYP1A2MAOAMAOBCYP2A6TRPA1
SCHEMBL461295 0.64 GSK3A (0.46) CYP1A2MAOAMAOBCYP2A6TRPA1
SCHEMBL283346 0.63 TRPA1 (0.50) CYP1A2MAOAMAOBTRPA1GPR84
SCHEMBL31586332 0.63 TRPA1 (0.50) CYP1A2MAOAMAOBTRPA1GPR84
SCHEMBL2235621 0.63 TRPA1 (0.50) CYP1A2MAOAMAOBTRPA1GPR84
SCHEMBL30579936 0.62 GSK3A (0.43) CYP1A2MAOAMAOBCYP2A6TRPA1
SCHEMBL3102143 0.62 GSK3A (0.43) CYP1A2MAOAMAOBCYP2A6TRPA1
SCHEMBL837292 0.62 MAOA (0.58) CYP1A2MAOAMAOBCYP2A6TRPA1
SCHEMBL3106328 0.62 GSK3A (0.43) CYP1A2MAOAMAOBCYP2A6TRPA1

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-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP disclosed
WO-1999065881-A1 HETEROCYCLIC COMPOUNDS AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US disclosed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP disclosed
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed
WO-1996011196-A1 PYRAZOLYLMETHYL-THIAZOLIDINES USEFUL AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO disclosed