SCHEMBL11547463

SCHEMBL11547463

Cc1ccc(S(=O)(=O)N(CCBr)C(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
TAS2R14 Q9NYV8 1/20 0.50
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
C5AR1 P21730 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 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
SCHEMBL25984793 0.82 HSD11B1 (0.81) HSD11B1TAS2R14ALDH1A1POLBCNR2
SCHEMBL6830704 0.80 CNR2 (0.50) HSD11B1TAS2R14RECQLALDH1A1POLB
SCHEMBL11582455 0.79 HSD11B1 (0.81) HSD11B1TAS2R14RECQLALDH1A1KEAP1
SCHEMBL6803488 0.76 LIMK2 (0.49) HSD11B1TAS2R14ALDH1A1POLBTP53
SCHEMBL6803486 0.75 TP53 (0.47) HSD11B1TAS2R14ALDH1A1POLBTP53
SCHEMBL31455542 0.75 HSD11B1 (0.64) HSD11B1TAS2R14ALDH1A1POLBTP53
SCHEMBL25349817 0.74 TP53 (0.69) HSD11B1ALDH1A1KDM4ETP53CA12
SCHEMBL25434133 0.74 HSD11B1 (0.53) HSD11B1TAS2R14RECQLALDH1A1KEAP1
SCHEMBL9789406 0.73 HSD11B1 (0.51) HSD11B1TAS2R14ALDH1A1KEAP1NFE2L2
SCHEMBL25437664 0.72 HSD11B1 (0.51) HSD11B1TAS2R14RECQLALDH1A1POLB

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
US-4157257-A HERBICIDES FOR APPLICATION TO AQUATIC RICE PADDIES UTSUNOMIYA UNIVERSITY (JP) 1979-06-05 US disclosed