SCHEMBL6566896

SCHEMBL6566896

COCCOCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.81
MAPK1 P28482 1/20 0.71
TSHR P16473 2/20 0.61
LMNA P02545 4/20 0.61
HPGD P15428 2/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HTT P42858 3/20 0.55
ALOX15 P16050 1/20 0.55
PKM P14618 2/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL15577722 1.00 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL12672469 0.92 ALDH1A1 (0.96) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL6567085 0.90 MAPK1 (0.81) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL12640166 0.90 ALDH1A1 (1.00) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL7350215 0.87 MAPK1 (0.66) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL6566887 0.85 ALDH1A1 (0.83) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL15522663 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL28001097 0.84 ALDH1A1 (0.58) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL20090510 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1TSHRLMNAHPGD
SCHEMBL18671536 0.84 ALDH1A1 (0.81) ALDH1A1MAPK1TSHRLMNAHPGD

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-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed