SCHEMBL8444497

SCHEMBL8444497

CS(=O)(=O)ONC(N)=NC(=O)c1cccc(-c2cccc3occc23)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 12/20 0.38
PRKCI P41743 1/20 0.34
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTR2B P41595 1/20 0.31
KAT6A Q92794 1/20 0.31

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
SCHEMBL8444375 0.84 SLC9A1 (0.36) SLC9A1CA12CA1CA2CA9
SCHEMBL8441028 0.83 SLC9A1 (0.38) SLC9A1HTR2B
SCHEMBL8443424 0.82 SLC9A1 (0.33) SLC9A1F2F10CA12CA1
SCHEMBL7816360 0.81 SLC9A1 (0.34) SLC9A1F2F10CA12CA1
SCHEMBL8440595 0.81 ASH1L (0.52) SLC9A1PRKCI
SCHEMBL8440989 0.80 SLC9A1 (0.43) SLC9A1
SCHEMBL7824600 0.78 HDAC2 (0.41) CA12CA1CA2CA9
SCHEMBL8444435 0.77 HTR2B (0.39) SLC9A1CA2HTR2B
SCHEMBL8443921 0.77 HTR2B (0.39) SLC9A1HTR2B
SCHEMBL7822730 0.76 SLC9A1 (0.46) SLC9A1CA12CA1CA2CA9

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-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed