SCHEMBL7700277

SCHEMBL7700277

CS(=O)(=O)OCc1cccc2c1OCCC(C(=O)N=C(N)N)=C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.34
MTNR1A P48039 4/20 0.33
KDM4C Q9H3R0 1/20 0.31
PARP1 P09874 1/20 0.31
SLC9A5 Q14940 1/20 0.30
SLC9A2 Q9UBY0 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
SCHEMBL7701326 0.82 MTNR1A (0.33) MTNR1A
SCHEMBL7694522 0.81 SLC9A1 (0.34) SLC9A1MTNR1APARP1SLC9A5SLC9A2
SCHEMBL7702076 0.81 SLC9A1 (0.38) SLC9A1SLC9A2
SCHEMBL7700742 0.80 PARP1 (0.36) SLC9A1PARP1SLC9A5SLC9A2
Hydrochloric Acid SCHEMBL7701189 0.80 SLC9A1 (0.33) SLC9A1MTNR1APARP1SLC9A5SLC9A2
SCHEMBL7378220 0.80 FABP4 (0.35) SLC9A1PARP1
Hydrochloric Acid SCHEMBL6135636 0.80 SLC9A1 (0.37) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL6134781 0.80 SLC9A1 (0.37) SLC9A1SLC9A2
SCHEMBL7700530 0.79 MTNR1A (0.32) MTNR1A
SCHEMBL7700646 0.79 SLC9A1 (0.33) 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