SCHEMBL7516456

SCHEMBL7516456

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

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.64
PRSS1 P07477 3/20 0.64
PRSS2 P07478 3/20 0.64
PRSS3 P35030 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP10 Q53GL7 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL7516738 0.91 MAPT (0.62) F10PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL6387684 0.88 F10 (0.83) F10PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL6390565 0.85 F10 (0.63) F10SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6391954 0.82 F10 (0.60) F10SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL7518683 0.78 F10 (0.77) F10PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL6388544 0.78 F10 (0.55) F10SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6388548 0.78 F10 (0.55) F10SMN1; SMN2ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL7515588 0.78 F10 (0.98) F10PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6389549 0.76 F10 (0.53) F10SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL29123955 0.76 MAPT (0.72) F10SMN1; SMN2ALDH1A1MAPTTP53

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