SCHEMBL7700742

SCHEMBL7700742

CS(=O)(=O)OC(=O)c1cccc2c1OCCC(C(=O)N=C(N)N)=C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
SLC9A1 P19634 9/20 0.31
SLC9A5 Q14940 1/20 0.30
SLC9A2 Q9UBY0 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
HTR2B P41595 2/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL7701095 0.83 CA9 (0.35) PARP1CA12CA9
SCHEMBL7701182 0.82 PARP1 (0.43) PARP1SLC9A1SLC9A5SLC9A2HTR2B
SCHEMBL7702076 0.81 SLC9A1 (0.38) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL6134781 0.81 SLC9A1 (0.37) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL6135636 0.81 SLC9A1 (0.37) SLC9A1SLC9A2
SCHEMBL7697135 0.80 PARP1 (0.43) PARP1
SCHEMBL7700277 0.80 SLC9A1 (0.34) PARP1SLC9A1SLC9A5SLC9A2
SCHEMBL7700646 0.80 SLC9A1 (0.33) PARP1SLC9A1
SCHEMBL7694853 0.79 PARP1 (0.34) PARP1
SCHEMBL7378220 0.79 FABP4 (0.35) PARP1SLC9A1

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