Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1928131

Brc1cnc2c(I)cccc2c1.N

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
PSMD14 O00487 3/20 0.36
COPS5 Q92905 2/20 0.36
MAPK1 P28482 1/20 0.36
KDR P35968 2/20 0.35
DYRK1A Q13627 2/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKCG P05129 1/20 0.35
INSR P06213 1/20 0.35
CDK1 P06493 1/20 0.35
FES P07332 1/20 0.35
IGF1R P08069 1/20 0.35
ROS1 P08922 1/20 0.35
FGFR1 P11362 1/20 0.35
PHKG2 P15735 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
SCHEMBL18739047 0.79 KDM4E (0.39) KDM4EPSMD14COPS5CYP2A6CCR1
SCHEMBL14661368 0.76 KDM4E (0.44) KDM4EPSMD14COPS5MAPK1CYP2A6
SCHEMBL26074213 0.76 KDM4E (0.62) KDM4EPSMD14COPS5CYP2A6CCR1
SCHEMBL5558125 0.76 NR4A2 (0.38) KDM4EPSMD14COPS5BIRC5CYP2A6
SCHEMBL14923574 0.76 KDM4E (0.38) KDM4EPSMD14COPS5KDRAURKA
SCHEMBL2197162 0.76 KMT2A (0.41) KDM4EPSMD14COPS5DYRK1ACYP2A6
SCHEMBL3385960 0.76 KDM4E (0.62) KDM4E
SCHEMBL3060889 0.76 KDM4E (0.37) KDM4EPSMD14COPS5CCR1CCR5
SCHEMBL29407003 0.75 CCR1 (0.52) KDM4EMAPK1KDRDYRK1APLK4
SCHEMBL557234 0.75 CCR1 (0.52) KDM4EMAPK1KDRDYRK1APLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP disclosed
US-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2008-07-17 US disclosed
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO 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-20080171767-A1 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants NAT1, DPM1, AADAC KDM4E 929/4885PSMD14 4095/4885COPS5 1764/4885

“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.