Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL27489178

N.O=C(O)CCNCc1ccccc1

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
NCOR2 Q9Y618 2/20 0.57
MAOA P21397 1/20 0.55
CHRM2 P08172 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
FOLH1 Q04609 1/20 0.52
KEAP1 Q14145 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LTA4H P09960 2/20 0.50
S1PR1 P21453 2/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50

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
SCHEMBL2224632 0.98 MEN1 (0.64) MEN1KMT2ATDP1HDAC3HDAC1
Hydrochloric Acid SCHEMBL7823186 0.96 MEN1 (0.61) MEN1KMT2ATDP1HDAC3HDAC1
SCHEMBL3669498 0.90 ALDH1A1 (0.56) MEN1KMT2ATDP1HDAC3HDAC1
SCHEMBL5939323 0.87 S1PR1 (0.64) HDAC1GAAALDH1A1S1PR1FFAR1
SCHEMBL864629 0.86 HDAC3 (0.65) MEN1KMT2ATDP1HDAC3HDAC1
Ether SCHEMBL911373 0.86 SMN1; SMN2 (0.51) MEN1KMT2ATDP1HDAC3HDAC1
SCHEMBL11300014 0.85 MEN1 (0.48) MEN1KMT2ATDP1HDAC3HDAC1
SCHEMBL8905341 0.85 HDAC3 (0.73) MEN1KMT2ATDP1HDAC3HDAC1
SCHEMBL1981483 0.84 MEN1 (0.68) MEN1KMT2ATDP1HDAC3HDAC1
Ammonia Solution, Strong SCHEMBL27486735 0.83 MEN1 (0.54) MEN1KMT2ATDP1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229330-C N-arylating method using amino-acid as additives SHANGHAI INST ORGANIC CHEM (CN) 2005-11-30 CN claimed
CN-1203040-C Method for synthesizing diaryl ether by using amino acid as additive SHANGHAI INST ORGANIC CHEM (CN) 2005-05-25 CN claimed
CN-1462735-A Method for synthesizing diaryl ether by using amino acid as additive SHANGHAI INST ORGANIC CHEM (CN) 2003-12-24 CN claimed
CN-1450049-A N-arylating method using amino-acid as additives SHANGHAI INST ORGANIC CHEM (CN) 2003-10-22 CN claimed
CN-1229330-C N-arylating method using amino-acid as additives SHANGHAI INST ORGANIC CHEM (CN) 2005-11-30 CN disclosed
CN-1203040-C Method for synthesizing diaryl ether by using amino acid as additive SHANGHAI INST ORGANIC CHEM (CN) 2005-05-25 CN disclosed
CN-1462735-A Method for synthesizing diaryl ether by using amino acid as additive SHANGHAI INST ORGANIC CHEM (CN) 2003-12-24 CN disclosed
CN-1450049-A N-arylating method using amino-acid as additives SHANGHAI INST ORGANIC CHEM (CN) 2003-10-22 CN disclosed