Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4846937

Cc1cc(CCc2cccs2)ccc1N.N

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
SKP2 Q13309 1/20 0.50
TAAR1 Q96RJ0 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
TSHR P16473 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
LMNA P02545 2/20 0.36
OPRK1 P41145 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL841783 0.79 SKP2 (0.73) PTGS1PTGS2SKP2TSHRTDP1
SCHEMBL31634603 0.79 SKP2 (0.73) PTGS1PTGS2SKP2TSHRTDP1
SCHEMBL3482834 0.77 SKP2 (0.70) PTGS1PTGS2SKP2TAAR1TSHR
SCHEMBL4846933 0.75 ATM (0.49) PTGS1PTGS2TAAR1L3MBTL1TDP1
SCHEMBL21236814 0.73 PTGS1 (0.58) PTGS1PTGS2TAAR1L3MBTL1TRPM8
Ammonia Solution, Strong SCHEMBL4846523 0.73 SKP2 (0.56) SKP2TSHRTDP1ALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL5929377 0.72 SKP2 (0.63) PTGS1SKP2TAAR1ADRA2ATSHR
SCHEMBL3514830 0.72 SKP2 (0.81) SKP2TSHRTDP1ALDH1A1CYP3A4
SCHEMBL6297863 0.71 L3MBTL1 (0.54) L3MBTL1TSHRLMNATDP1ALDH1A1
SCHEMBL21622793 0.71 LMNA (0.61) PTGS1PTGS2TAAR1L3MBTL1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US claimed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US claimed
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1589012-A2 N-alkylheteroaryl secondary para-phenyldiamine, dyeing composition containing the same, process for making it and uses thereof L'OREAL (FR) 2005-10-26 EP claimed
US-7429278-B2 N-alkyleheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine L'ORÉAL (FR) 2008-09-30 US disclosed
US-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE L'OREAL S.A. 2008-03-20 US 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 (2 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-20080069789-A1 N-ALKYLHETEROARYL SECONDARY PARA-PHENYLENEDIAMINE AND COMPOSITION COMPRISING SUCH A PARA-PHENYLENEDIAMINE KRT18, CDC73, PRKDC PTGS1 4573/4885PTGS2 4543/4885SKP2 2385/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC PTGS1 4573/4885PTGS2 4543/4885SKP2 2385/4885

“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.