SCHEMBL8136406

SCHEMBL8136406

O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 3/20 0.52
HIF1A Q16665 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GUSB P08236 1/20 0.47
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46

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
SCHEMBL8136486 0.90 ALDH1A1 (0.50) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL13666816 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL8142655 0.82 PDE7A (0.46) ALDH1A1MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL31294358 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL1970447 0.80 KMT2A (0.67) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL10235627 0.80 ALDH1A1 (0.51) ALDH1A1HIF1ACYP3A4KMT2AMEN1
SCHEMBL11572065 0.79 KMT2A (0.57) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL3722506 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL31125127 0.79 PTPRC (0.43) ALDH1A1HIF1ACYP3A4KMT2AMEN1
SCHEMBL10235620 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4KMT2AMEN1TDP1

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
WO-2000000467-A1 METHOD FOR PREPARING AROMATIC PERFLUOROALKYL SULFONE DERIVATIVES RHODIA CHIMIE (FR) 2000-01-06 WO claimed
WO-2000000467-A1 METHOD FOR PREPARING AROMATIC PERFLUOROALKYL SULFONE DERIVATIVES RHODIA CHIMIE (FR) 2000-01-06 WO disclosed