SCHEMBL1287149

SCHEMBL1287149

CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.46
TSHR P16473 1/20 0.43
NR1D1 P20393 1/20 0.43
MAPT P10636 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CDC25C P30307 1/20 0.40
IDO1 P14902 1/20 0.39
BMP1 P13497 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL992030 0.83 KCNH2 (0.50) KCNH2TSHRNR1D1MAPTSIGMAR1
SCHEMBL28826275 0.83 ESRRG (0.38) SIGMAR1
SCHEMBL5523203 0.82 KCNH2 (0.43) KCNH2TSHRNR1D1MAPTSIGMAR1
SCHEMBL6274443 0.81 L3MBTL1 (0.44) LMNA
SCHEMBL16682344 0.81 KCNH2 (0.53) KCNH2TSHRNR1D1ALDH1A1LMNA
SCHEMBL5523204 0.81 KCNH2 (0.43) KCNH2TSHRNR1D1MAPTALDH1A1
SCHEMBL19491362 0.80 KCNH2 (0.52) KCNH2TSHRNR1D1MAPTSIGMAR1
SCHEMBL15807642 0.79 KCNH2 (0.47) KCNH2TSHRNR1D1MAPTSIGMAR1
SCHEMBL5653544 0.78 KCNH2 (0.45) KCNH2TSHRNR1D1MAPTSIGMAR1
SCHEMBL16107590 0.78 KCNH2 (0.50) KCNH2TSHRNR1D1MAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed