Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7974728

Cc1ccc(Oc2ccccc2S(=O)(=O)O)cc1.N

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.53
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HTR2A P28223 2/20 0.44
SLC6A4 P31645 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
MEN1 O00255 1/20 0.42
APEX1 P27695 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MYC P01106 1/20 0.40
MMP13 P45452 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL7090900 0.98 CASP1 (0.54) CASP1HTTSMN1; SMN2LMNAPOLB
Trimethylammonium SCHEMBL2248922 0.94 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAPOLB
Ammonia Solution, Strong SCHEMBL1120715 0.86 CASP1 (0.50) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL9242715 0.84 CASP1 (0.49) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL158361 0.84 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL32661421 0.84 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL17916236 0.83 LTA4H (0.48) CASP1HTTSMN1; SMN2LMNAPOLB
Hydrochloric Acid SCHEMBL11219372 0.82 CASP1 (0.50) CASP1HTTSMN1; SMN2LMNAPOLB
SCHEMBL3877575 0.81 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAHTR2A
SCHEMBL6249693 0.81 CASP1 (0.51) CASP1HTTSMN1; SMN2LMNAHTR2A

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
EP-1155106-A2 CLEANING COMPOSITIONS CONTAINING SELECTED NONIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2001-11-21 EP disclosed
WO-2000050549-A2 CLEANING COMPOSITIONS CONTAINING SELECTED NONIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 2000-08-31 WO disclosed
WO-1998039406-A9 BLEACH COMPOSITIONS PROCTER & GAMBLE (US) 1999-09-16 WO disclosed