Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL2237158

CCOC(=O)c1cc([N+](=O)[O-])c[nH]1.N

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPC1 O15118 1/20 0.50
CACNA1C Q13936 3/20 0.45
CACNA1F O60840 2/20 0.45
CACNA1D Q01668 2/20 0.45
CACNA1S Q13698 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
AR P10275 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44

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
SCHEMBL1299290 0.98 MAPT (0.53) MAPTNPC1CACNA1CCACNA1FCACNA1D
SCHEMBL20640075 0.84 ALDH1A1 (0.45) MAPTNPC1CACNA1CCACNA1FCACNA1D
SCHEMBL12393146 0.82 AR (0.55) MAPTNPC1ADORA3ARSMN1; SMN2
SCHEMBL1160193 0.81 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2237150 0.79 BAZ2B (0.39) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6819783 0.79 MAPT (0.39) MAPTNPC1CACNA1CCACNA1FCACNA1D
SCHEMBL6805379 0.79 AR (0.39) MAPTNPC1CACNA1CCACNA1FCACNA1D
SCHEMBL1185764 0.77 NR3C2 (0.42) MAPTNPC1SMN1; SMN2GABRA1GABRG2
SCHEMBL2148753 0.75 GABRP (0.51) MAPTNPC1SMN1; SMN2GABRPGABRD
SCHEMBL6180951 0.75 NPC1 (0.43) MAPTNPC1CACNA1CCACNA1FCACNA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed