Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL9517239

N.N.Nc1ccccc1Cc1ccccc1N

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
ALOX15 P16050 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AR P10275 1/20 0.44
HSPA5 P11021 1/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FDPS P14324 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL29373097 0.97 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL36019 0.97 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9719138 0.94 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL11743462 0.94 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1759362 0.94 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL1759361 0.92 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2782720 0.89 CYP3A4 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL23496022 0.87 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Butane SCHEMBL14335706 0.87 CYP3A4 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2356316 0.85 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0250977-B1 POLYURETHANES REINFORCED WITH RIGID ROD MICRO FILLERS AND PROCESS FOR MAKING THE SAME THE DOW CHEMICAL COMPANY (US) 1993-03-31 EP claimed
EP-0143127-B1 MODIFIED POLYIMIDES; PRODUCTION THEREOF, BONDING THEREWITH AND PRODUCTION OF COMPOSITE ARTICLES THEREFROM Imi-Tech Corporation (US) 1988-03-02 EP claimed