Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2415758

N.O=C(O)[C@H](Cc1ccccc1)NCP(=O)(O)OBr

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.49
ECE1 P42892 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
ACE P12821 1/20 0.43
FPR2 P25090 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL16415834 0.87 MME (0.49) MMEECE1MEN1KMT2AL3MBTL1
SCHEMBL8697150 0.84 MME (0.47) MMEECE1MEN1KMT2AL3MBTL1
SCHEMBL43351 0.82 MME (0.62) MMEECE1MEN1KMT2AL3MBTL1
SCHEMBL43350 0.82 MME (0.62) MMEECE1MEN1KMT2AL3MBTL1
SCHEMBL8932450 0.77 MME (0.47) MMEECE1MEN1KMT2AACE
SCHEMBL73701 0.77 L3MBTL1 (0.46) MMEECE1MEN1KMT2AL3MBTL1
SCHEMBL31510352 0.76 ANPEP (0.48) MMEECE1MEN1KMT2AL3MBTL1
SCHEMBL7411123 0.75 MME (0.62) MMEECE1MEN1KMT2AACE
SCHEMBL7411127 0.75 MME (0.62) MMEECE1MEN1KMT2AACE
SCHEMBL3103119 0.75 FPR2 (0.54) MMEECE1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011106898-A1 METHODS AND SYSTEMS FOR PREPARING IRREVERSIBLE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2011-09-09 WO disclosed