SCHEMBL7700693

SCHEMBL7700693

CCOC(=O)C1=Cc2cccc(NS(N)(=O)=O)c2OCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
LMNA P02545 4/20 0.38
TSHR P16473 6/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7386010 0.90 TSHR (0.45) LMNATSHRKMT2AMAPK1KDM4E
SCHEMBL7699566 0.88 LMNA (0.36) LMNATSHRKMT2AKDM4EHSD17B10
SCHEMBL7382828 0.85 L3MBTL1 (0.40) LMNATSHRKMT2AMAPK1KDM4E
SCHEMBL7388616 0.84 TSHR (0.45) LMNATSHRKMT2AMAPK1KDM4E
SCHEMBL7699554 0.84 CA2 (0.37) CA1CA2TSHRKMT2AKDM4E
SCHEMBL7695368 0.84 ALDH1A1 (0.47) TSHRKMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL7388954 0.83 ALDH1A1 (0.41) LMNATSHRKMT2AMAPK1KDM4E
SCHEMBL7696668 0.82 CA12 (0.48) CA1CA2LMNATSHRHSD17B10
SCHEMBL7697790 0.81 ALDH1A1 (0.35) CA1CA2LMNATSHRKMT2A
SCHEMBL7385104 0.81 NOTUM (0.40) CA1CA2LMNATSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed