Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL8433966

CCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(S(=O)(=O)O)c1.N

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 4/20 0.44
POLB P06746 2/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HPD P32754 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MASP2 O00187 1/20 0.41
F2 P00734 1/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESRRA P11474 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL8433971 1.00 MAPT (0.45) MAPTTDP1HPGDALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL8433967 1.00 MAPT (0.45) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL8438235 0.99 MAPT (0.46) MAPTTDP1HPGDALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL5720361 0.93 MAPT (0.45) MAPTTDP1HPGDALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL5720368 0.93 MAPT (0.45) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL9282689 0.92 MAPT (0.45) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL5720173 0.83 MAPT (0.43) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL9052089 0.82 MAPT (0.58) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL8740797 0.82 MAPT (0.56) MAPTTDP1HPGDALDH1A1KDM4E
SCHEMBL8432586 0.81 L3MBTL1 (0.49) MAPTHPGDALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765305-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-12-15 EP disclosed
US-5912270-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-15 US disclosed
US-5470882-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-11-28 US disclosed