Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL29119863

CC(C)(C)C(OS(=O)(=O)C(F)(F)F)c1ccccc1.N

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
SRC P12931 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.33
CXCR2 P25025 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.33
ACP1 P24666 1/20 0.32
PTPN7 P35236 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN13 Q12923 1/20 0.32
SSU72 Q9NP77 1/20 0.32
CXCR1 P25024 1/20 0.32
HSD11B1 P28845 1/20 0.32

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 SCHEMBL29119873 0.86 NPSR1 (0.38) L3MBTL1SRCNPSR1POLBGAA
SCHEMBL1273035 0.84 NPSR1 (0.39) L3MBTL1SRCNPSR1POLBGAA
SCHEMBL1273034 0.84 NPSR1 (0.39) L3MBTL1SRCNPSR1POLBGAA
SCHEMBL12800458 0.84 NPSR1 (0.39) L3MBTL1SRCNPSR1POLBGAA
Ammonia Solution, Strong SCHEMBL28355285 0.79 HCAR2 (0.38) NPSR1POLBMAPK1CXCR2ALDH1A1
Ammonia Solution, Strong SCHEMBL29119872 0.78 IDO1 (0.39) SRCNPSR1MAPK1ALDH1A1MAPT
SCHEMBL10539574 0.77 CES1 (0.41) L3MBTL1ATMSRCCXCR2ALDH1A1
Ammonia Solution, Strong SCHEMBL28721962 0.77 ALDH1A1 (0.35) SRCNPSR1MAPK1CXCR2ALDH1A1
SCHEMBL28419506 0.77 HCAR2 (0.39) NPSR1POLBMAPK1CXCR2ALDH1A1
SCHEMBL13829003 0.77 HCAR2 (0.39) NPSR1POLBMAPK1CXCR2ALDH1A1

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
CN-115724884-A Synthesis method of benzylphosphine oxide compound 海南大学 2023-03-03 CN disclosed