Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL6424832

CN(CP(=O)(O)Oc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc2ccccc2s1.N

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
CA2 P00918 5/20 0.39
CA1 P00915 3/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
THRB P10828 2/20 0.36
MCL1 Q07820 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SQLE Q14534 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL4421233 1.00 MAPT (0.40) MAPTPOLBCA2CA1CES2
SCHEMBL13885154 0.99 MAPT (0.41) MAPTPOLBCA2CA1CES2
SCHEMBL4421229 0.86 MAPT (0.40) MAPTPOLBCA2CA1CES2
Ammonia Solution, Strong SCHEMBL4419736 0.82 CA1 (0.44) MAPTPOLBCA2CA1CES2
Ammonia Solution, Strong SCHEMBL4421010 0.82 CA2 (0.41) MAPTPOLBCA2CA1CES2
SCHEMBL1686914 0.81 CA2 (0.42) MAPTPOLBCA2CA1CES2
Ammonia Solution, Strong SCHEMBL4430062 0.79 MEN1 (0.36) MAPTPOLBCA2CA1CES2
Ammonia Solution, Strong SCHEMBL4421234 0.78 MEN1 (0.38) MAPTPOLBCA2CA1CES2
SCHEMBL4421232 0.77 CA2 (0.36) MAPTPOLBCA2CA1CES2
SCHEMBL7705155 0.77 CA2 (0.48) CA2SQLELMNACYP1A2MGLL

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
EP-1194436-B1 SULFONAMIDOMETHYL PHOSPHONATE INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2005-11-30 EP disclosed