SCHEMBL3918014

SCHEMBL3918014

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.39
NOS1 P29475 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL28376459 0.80 ALDH1A1 (0.50) KMT2AGAATP53TSHRMAPT
SCHEMBL513491 0.79 TSHR (0.49) KMT2AGAATSHRMAPTMEN1
SCHEMBL7475129 0.77 TSHR (0.53) KMT2AGAATSHRMAPTMEN1
SCHEMBL6407218 0.74 MAPT (0.54) KMT2AGAATP53TSHRMAPT
SCHEMBL468217 0.73 TP53 (0.46) KMT2AGAATP53MAPTMEN1
SCHEMBL521125 0.73 SLC6A3 (0.50) KMT2AGAATP53MAPTMEN1
SCHEMBL28693817 0.72 GSK3B (0.45) KMT2AGAATSHRMAPTMEN1
SCHEMBL28966334 0.72 HPGD (0.47) KMT2ATP53MAPTMEN1ALDH1A1
SCHEMBL28966332 0.72 HPGD (0.47) KMT2ATP53MAPTMEN1ALDH1A1
SCHEMBL2225077 0.72 TDP1 (0.52) KMT2ATSHRMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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