SCHEMBL5076100

SCHEMBL5076100

O=S(=O)(C(/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1)C(/C=C/c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CYP1B1 Q16678 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL5076107 1.00 MAPT (0.42) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL1194958 0.92 AHR (0.38) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL5871842 0.92 MAPT (0.37) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL7157126 0.92 MAPT (0.40) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL5872239 0.92 MAPT (0.37) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL1194574 0.92 MAPT (0.40) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL1194536 0.92 AHR (0.38) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL1194100 0.92 MAPT (0.40) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL1194770 0.92 ALDH1A1 (0.41) MAPTCYP2C19CYP2D6MEN1CYP3A4
SCHEMBL5074675 0.92 AHR (0.38) MAPTCYP2C19CYP2D6MEN1CYP3A4

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