Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27845809

N.O=S(=O)(O)c1cc(S(=O)(=O)O)c2ccccc2c1

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 2/20 0.49
CYP2C9 P11712 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HIF1A Q16665 3/20 0.49
ALOX15 P16050 1/20 0.49
ATIC P31939 1/20 0.49
CASP6 P55212 4/20 0.47
MPL P40238 4/20 0.45
NSD2 O96028 3/20 0.45
CTRC Q99895 2/20 0.45
DUSP3 P51452 2/20 0.45
PTPN5 P54829 2/20 0.45
PTPN11 Q06124 2/20 0.45
CASP7 P55210 1/20 0.45
DNASE1L3 Q13609 1/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8599488 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL29421128 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL1145407 0.98 ALDH1A1 (0.50) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL27085691 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL28030504 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL27788769 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL27609745 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
Potassium SCHEMBL9556360 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL27625969 0.96 ALDH1A1 (0.49) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19
SCHEMBL25940533 0.85 ALDH1A1 (0.45) ALDH1A1MAPK1CYP2C9CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102391161-A Process for preparing amino G acid HUBEI XINHUI CHEMICAL CO LTD 2012-03-28 CN claimed
CN-104030948-A New process of amino G acid ammonification production HUBEI XINHUI CHEMICAL CO LTD 2014-09-10 CN disclosed
CN-102391161-A Process for preparing amino G acid HUBEI XINHUI CHEMICAL CO LTD 2012-03-28 CN disclosed