SCHEMBL7833656

SCHEMBL7833656

CNc1nc(OC(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GALR2 O43603 1/20 0.46
POLB P06746 1/20 0.46
TXNRD1 Q16881 6/20 0.44
MAOA P21397 4/20 0.42
MAOB P27338 2/20 0.42
MAPT P10636 5/20 0.40
MAPK1 P28482 3/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL2306805 0.84 TXNRD1 (0.54) LMNAGALR2POLBTXNRD1MAPT
SCHEMBL17483858 0.80 TXNRD1 (0.39) LMNATXNRD1MAOAMAOBMAPT
SCHEMBL7833583 0.80 MAOA (0.61) LMNAGALR2POLBTXNRD1MAOA
SCHEMBL16060533 0.79 MAOA (0.42) LMNATXNRD1MAOAMAOBMAPT
SCHEMBL17372594 0.79 TXNRD1 (0.48) TXNRD1MAPTMAPK1RAB9AHTT
SCHEMBL29210876 0.79 TXNRD1 (0.48) TXNRD1MAPTMAPK1RAB9AHTT
SCHEMBL19100650 0.78 TXNRD1 (0.47) TXNRD1MAPTMAPK1RAB9AHTT
SCHEMBL14333822 0.78 TXNRD1 (0.47) TXNRD1MAPTMAPK1RAB9AHTT
SCHEMBL3487431 0.77 MEN1 (0.44) LMNAGALR2POLBTXNRD1MAOA
SCHEMBL27101603 0.76 CYP1A2 (0.40) TXNRD1MAOAMAOBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676398-B1 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO CO (JP) 2001-10-24 EP disclosed
CN-1060173-C Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 2001-01-03 CN disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed