SCHEMBL7824006

SCHEMBL7824006

COC(=O)c1cc(S(C)(=O)=O)cc(-n2cccc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.37
FBP1 P09467 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.36
SLC9A1 P19634 1/20 0.36
SLC9A3 P48764 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
SDHB P21912 1/20 0.36
MYC P01106 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8704133 0.82 L3MBTL1 (0.37) KMT2AALDH1A1L3MBTL1CA1CA2
SCHEMBL7823230 0.81 SLC9A1 (0.56) SLC9A1SLC9A3SLC9A2
SCHEMBL8354895 0.76 CA2 (0.41) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL8354876 0.74 KDM4E (0.39) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL11360119 0.73 KDM4E (0.44) KMT2AKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8701738 0.73 SLC9A1 (0.49) KMT2AKDM4ENPSR1L3MBTL1SLC9A1
SCHEMBL6927272 0.71 SLC9A1 (0.63) KMT2AKDM4EFBP1SLC9A1SLC9A3
SCHEMBL7443058 0.71 KDM4E (0.40) KMT2AKDM4EALDH1A1HPGDNPSR1
SCHEMBL7815981 0.70 FBP1 (0.46) KMT2AKDM4EALDH1A1L3MBTL1PTGS2
SCHEMBL8700610 0.70 SLC9A1 (0.49) KMT2AKDM4EALDH1A1HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed