Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7550643

N.Nc1ccc(S(=O)(=O)c2ccc(N)c(S(=O)(=O)O)c2)cc1

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HTR6 P50406 4/20 0.62
PKM P14618 3/20 0.62
TSHR P16473 4/20 0.55
CYP3A4 P08684 2/20 0.55
LMNA P02545 2/20 0.55
CYP2C9 P11712 2/20 0.55
MPO P05164 1/20 0.55
NT5E P21589 1/20 0.52
NPC1 O15118 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 1/20 0.41

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 SCHEMBL7551133 0.93 GAA (0.52) ALDH1A1HTR6PKMTSHRCYP3A4
Trimethylammonium SCHEMBL7555533 0.92 ALDH1A1 (0.57) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL1376733 0.91 GAA (0.53) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL7547325 0.87 HTR6 (0.51) ALDH1A1HTR6PKMTSHRCYP3A4
Trimethylammonium SCHEMBL7551091 0.84 GAA (0.47) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL7552085 0.82 HTR6 (0.47) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL10917582 0.82 ALDH1A1 (0.55) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL4953803 0.82 HTR6 (0.67) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL10383132 0.81 LMNA (0.53) ALDH1A1HTR6PKMTSHRCYP3A4
SCHEMBL10487054 0.81 ALDH1A1 (0.53) ALDH1A1HTR6PKMTSHRCYP3A4

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-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed