SCHEMBL5074691

SCHEMBL5074691

O=S(=O)(C(C=Cc1ccccc1)c1ccc(F)cc1)C(C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.50
▸ KMT2A Q03164 5/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP1A2 P05177 2/20 0.41
▸ LMNA P02545 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL15673888 0.91 TNFRSF1A (0.42) NFE2L2CYP2D6HTR2AHTR2CKCNH2
SCHEMBL7107955 0.88 CYP1A2 (0.52) NFE2L2CYP1A2LMNACYP2D6MAPT
SCHEMBL7107957 0.88 CYP1A2 (0.52) NFE2L2CYP1A2LMNACYP2D6MAPT
SCHEMBL1194574 0.84 MAPT (0.40) NFE2L2KMT2ACYP1A2LMNAMEN1
SCHEMBL1194783 0.84 MAOB (0.43) NFE2L2CYP1A2MAPTHTTALDH1A1
SCHEMBL1194100 0.84 MAPT (0.40) NFE2L2KMT2ACYP1A2LMNAMEN1
SCHEMBL5872258 0.84 TNFRSF1A (0.37) NFE2L2CYP2D6HTR2AHTR2CKCNH2
SCHEMBL7736953 0.84 MAOB (0.43) NFE2L2CYP1A2MAPTHTTALDH1A1
SCHEMBL1195028 0.84 NFE2L2 (0.55) NFE2L2KMT2ALMNAMEN1MAPT
SCHEMBL3668286 0.84 MAOB (0.43) NFE2L2CYP1A2MAPTHTTALDH1A1

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
EP-1370253-B1 USE OF ALPHA, BETA UNSATURATED ARYL SULFONES FOR PROTECTING CELLS AND TISSUES FROM IONIZING RADIATION TOXICITY UNIV TEMPLE (US) 2008-09-03 — — EP disclosed
Send feedback