Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4846523

Cc1cc(CCc2ccncc2)ccc1N.N

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.56
CYP17A1 P05093 3/20 0.45
CYP11B1 P15538 3/20 0.45
CYP19A1 P11511 2/20 0.45
CYP11B2 P19099 2/20 0.45
LOXL2 Q9Y4K0 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HRH1 P35367 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NR3C2 P08235 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
S100B P04271 1/20 0.37
CYP21A2 P08686 1/20 0.37

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
SCHEMBL3482834 0.87 SKP2 (0.70) SKP2CYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL31634603 0.84 SKP2 (0.73) SKP2CYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL841783 0.84 SKP2 (0.73) SKP2CYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL8086634 0.77 SKP2 (0.58) SKP2MEN1KMT2AALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL5929377 0.77 SKP2 (0.63) SKP2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL3514830 0.77 SKP2 (0.81) SKP2ALDH1A1CYP3A4TSHRTDP1
Ammonia Solution, Strong SCHEMBL4847663 0.76 SKP2 (0.49) SKP2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL6186416 0.76 ALDH1A1 (0.46) SKP2LOXL2MEN1KMT2AALDH1A1
SCHEMBL7747145 0.75 SKP2 (0.78) SKP2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL29365181 0.75 SKP2 (0.66) SKP2ALDH1A1CYP3A4TSHRTDP1

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 SKP2 2385/4885CYP17A1 2807/4885CYP11B1 3162/4885
US-20060005320-A1 N-alkylheteroaryl secondary para-phenylenediamine and composition comprising such a para-phenylenediamine KRT18, CDC73, PRKDC SKP2 2385/4885CYP17A1 2807/4885CYP11B1 3162/4885

“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.