SCHEMBL4947346

SCHEMBL4947346

CC1=CC(c2ccccc2[N+](=O)[O-])C=C(C)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 5/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 4/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
CACNA1F O60840 3/20 0.49
CACNA1S Q13698 3/20 0.49
CACNA1C Q13936 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ABCC4 O15439 2/20 0.49
ABCB11 O95342 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
OPRM1 P35372 2/20 0.49

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
SCHEMBL8165968 0.75 CACNA1D (0.54) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL13198586 0.73 CACNA1C (0.63) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL7186078 0.72 KMT2A (0.45) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL11307558 0.72 ADORA3 (0.62) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL31299804 0.71 ALDH1A1 (0.49) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL11442155 0.71 MAPT (0.50) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL21633870 0.69 CACNA1D (0.45) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL4608748 0.69 CACNA1C (0.73) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL12727534 0.69 CACNA1C (0.58) CACNA1DKMT2ATDP1MAPTALDH1A1
SCHEMBL612520 0.69 CACNA1C (0.73) CACNA1DKMT2ATDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184841-B1 1,4-DIHYDROPYRIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-11-11 EP claimed
CN-103154066-A Kit of parts for curable coating composition AKZO NOBEL COATINGS INT BV 2013-06-12 CN disclosed
CN-101331165-B Multilayer coating system AKZO NOBEL COATINGS INT BV 2011-11-16 CN disclosed
CN-101331165-A Multilayer coating system AKZO NOBEL COATINGS INT BV (NL) 2008-12-24 CN disclosed
EP-1789464-B1 COATING COMPOSITION BASED ON THIOL-NCO CURING AKZO NOBEL COATINGS INT BV (NL) 2008-11-05 EP disclosed
EP-0529702-B1 Dihydropyridine derivatives, their preparation and their use SANKYO CO (JP) 1996-12-11 EP disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 US disclosed
EP-0266922-B1 DIHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-09-08 EP disclosed
EP-0529702-A1 Dihydropyridine derivatives, their preparation and their use Sankyo Company Limited (JP) 1993-03-03 EP disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 WO disclosed
US-4992451-A Hypotensive agents, calcium blocking agents SANKYO COMPANY, LIMITED (JP) 1991-02-12 US disclosed
US-4772596-A CALCIUM BLOCKERS SANKYO COMPANY LIMITED (JP) 1988-09-20 US disclosed
EP-0266922-A1 Dihydropyridine derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-05-11 EP disclosed
EP-0249174-A1 1,4-dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions containing same NISSHIN FLOUR MILLING CO., LTD. (JP) 1987-12-16 EP disclosed
EP-0207674-A2 1,4-Dihydropyridine derivatives, their preparation and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed
EP-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 EP disclosed