SCHEMBL7516738

SCHEMBL7516738

COc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccc(OC(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
F10 P00742 2/20 0.60
PKM P14618 2/20 0.60
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
AKR1C3 P42330 2/20 0.55
HTT P42858 1/20 0.53
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL7516456 0.91 F10 (0.64) MAPTF10PKMPRSS1PRSS2
SCHEMBL7518683 0.87 F10 (0.77) MAPTF10PKMPRSS1PRSS2
SCHEMBL29123955 0.86 MAPT (0.72) MAPTF10PKMPOLBALDH1A1
SCHEMBL11189465 0.85 PKM (0.68) MAPTF10PKMPOLBALDH1A1
SCHEMBL11186378 0.84 MAPT (0.67) MAPTF10PKMPOLBALDH1A1
SCHEMBL6391914 0.82 MAPT (0.64) MAPTF10PKMPOLBALDH1A1
SCHEMBL13543514 0.78 MAPT (0.79) MAPTPKMPOLBALDH1A1KDM4E
SCHEMBL29123938 0.78 ALDH1A1 (0.70) MAPTF10PKMPOLBALDH1A1
SCHEMBL6391535 0.78 MAPT (0.57) MAPTF10PKMPOLBALDH1A1
SCHEMBL6387684 0.78 F10 (0.83) MAPTF10PKMPRSS1PRSS2

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-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP disclosed