Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4821086

CCCC(N)c1ccc([N+](=O)[O-])cc1.N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 5/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRM4 Q14833 1/20 0.42

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
SCHEMBL894479 0.84 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL895913 0.84 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL6690598 0.84 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL43298 0.84 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL10697385 0.83 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL27520363 0.81 GRM8 (0.44) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL4754819 0.81 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4TSHRLOXL2
SCHEMBL4787856 0.80 CNR1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL23222166 0.79 SLC2A1 (0.48) ALDH1A1MAPTCYP1A2SLC6A4KDM4E
SCHEMBL19788211 0.79 KCNJ1 (0.48) ALDH1A1MAPTCYP1A2CYP3A4TSHR

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
US-7347879-B2 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'Oreál, S.A. (FR) 2008-03-25 US disclosed
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof L'OREAL S.A. (FR) 2006-01-12 US disclosed
EP-1568687-A1 Sulphur-containing secondary para-Phenylenediamines, dying composition containing such para-phenylenediamines and methods using this composition and use L'OREAL (FR) 2005-08-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060005321-A1 Sulfur-containing secondary para-phenylenediamines dye compositions comprising such para-phenylenediamines, processes, and uses thereof KRT18, CDC73, DSG1 ALDH1A1 1148/4885MAPT 2238/4885CYP1A2 3896/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.