SCHEMBL9052089

SCHEMBL9052089

O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccccc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
LMNA P02545 4/20 0.56
POLB P06746 2/20 0.54
CCR6 P51684 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
MASP2 O00187 1/20 0.51
F2 P00734 1/20 0.51
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSPB1 P04792 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL5720147 0.83 MAPT (0.58) MAPTTDP1LMNAPOLBCCR6
SCHEMBL8438235 0.83 MAPT (0.46) MAPTTDP1LMNAPOLBCCR6
SCHEMBL10980033 0.83 MAPT (0.61) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL8433967 0.82 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
SCHEMBL9282689 0.82 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL8433971 0.82 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL8433966 0.82 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL5720361 0.81 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
Ammonia Solution, Strong SCHEMBL5720368 0.81 MAPT (0.45) MAPTTDP1LMNAPOLBCCR6
SCHEMBL11189597 0.81 MAPT (0.61) MAPTTDP1LMNAPOLBCCR6

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
WO-1995033713-A9 ANTI-INFLAMMATORY COMPOUNDS 1996-03-21 WO disclosed
WO-1995033458-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
WO-1995033713-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed