SCHEMBL7700646

SCHEMBL7700646

CS(=O)(=O)ON=Cc1cccc2c1OCCC(C(=O)N=C(N)N)=C2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL7696930 0.83 KMT2A (0.31)
SCHEMBL7702076 0.80 SLC9A1 (0.38) SLC9A1
SCHEMBL7700742 0.80 PARP1 (0.36) SLC9A1PARP1
Hydrochloric Acid SCHEMBL6134781 0.79 SLC9A1 (0.37) SLC9A1
Hydrochloric Acid SCHEMBL6135636 0.79 SLC9A1 (0.37) SLC9A1
SCHEMBL7700277 0.79 SLC9A1 (0.34) SLC9A1PARP1
SCHEMBL7378220 0.77 FABP4 (0.35) SLC9A1PARP1
Hydrochloric Acid SCHEMBL7700510 0.76 KDM4E (0.47) SLC9A1PARP1
Hydrochloric Acid SCHEMBL7700819 0.75 PARP1 (0.38) SLC9A1PARP1
SCHEMBL7383369 0.75 SLC9A1 (0.39) SLC9A1PARP1

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
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