SCHEMBL468217

SCHEMBL468217

CC(NC(=O)O)C(=O)C(Br)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MYOC Q99972 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1E P28566 1/20 0.41
S1PR3 Q99500 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 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
SCHEMBL3920084 0.82 PPARG (0.45) TP53GAAKMT2ALMNANPC1
SCHEMBL28376459 0.81 ALDH1A1 (0.50) TP53GAAKMT2AMEN1NPC1
SCHEMBL15524362 0.79 ALDH1A1 (0.57) TP53GAAKMT2AMEN1LMNA
SCHEMBL25387995 0.79 ALDH1A1 (0.57) TP53GAAKMT2AMEN1LMNA
SCHEMBL16061130 0.78 MAPT (0.48) TP53GAAKMT2AMEN1LMNA
SCHEMBL2225077 0.76 TDP1 (0.52) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL9297237 0.76 TDP1 (0.52) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL16722688 0.76 TDP1 (0.53) TP53KMT2AMEN1LMNANPC1
SCHEMBL6407218 0.75 MAPT (0.54) TP53GAAKMT2AMEN1NPC1
SCHEMBL521125 0.74 SLC6A3 (0.50) TP53GAAKMT2AMEN1LMNA

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-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-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP disclosed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed