SCHEMBL7121267

SCHEMBL7121267

Fc1ccc(/C=C/[CH]c2ccc(Br)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.45
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40
CYP11B1 P15538 1/20 0.40
APP P05067 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL7124645 0.89 NFE2L2 (0.54) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL7129484 0.89 CYP2C19 (0.45) MAPTMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL3847986 0.81 MAOB (0.54) NFE2L2MAPTNPC1MEN1CYP1A2
SCHEMBL3847989 0.81 MAOB (0.54) NFE2L2MAPTNPC1MEN1CYP1A2
SCHEMBL4027579 0.79 ALDH1A1 (0.46) NFE2L2MAPTHSD11B1NPC1CYP1A2
SCHEMBL7121300 0.79 HDAC2 (0.46) NFE2L2CYP1A2PTGS1FBP1KDM4E
SCHEMBL7130620 0.79 HDAC2 (0.46) NFE2L2CYP1A2PTGS1FBP1KDM4E
SCHEMBL2622600 0.77 APP (0.50) MAPTMEN1CYP3A4CYP2D6KMT2A
SCHEMBL9970459 0.77 NFE2L2 (0.62) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL10137941 0.74 APP (0.55) MAPTMEN1CYP1A2CYP3A4CYP2D6

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
US-6667346-B2 Administration of a radioprotective alpha, beta unsaturated aryl sulfone compound to a patient prior to anticancer radiotherapy reduces cytotoxic side effects of radiation on normal cells TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-12-23 US disclosed
WO-2000059494-A1 STYRYL SULFONE ANTICANCER AGENTS TEMPLE UNIVERSITY- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-10-12 WO disclosed