SCHEMBL7700274

SCHEMBL7700274

CCS(=O)(=O)c1cccc2c1OCCC(C(=O)N=C(N)NOS(C)(=O)=O)=C2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.30
KMT2A Q03164 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
SCHEMBL7700710 0.91 KMT2A (0.31) KMT2A
SCHEMBL7701257 0.90 KMT2A (0.31) KMT2A
SCHEMBL7696977 0.89 KMT2A (0.30) KMT2A
SCHEMBL7697135 0.85 PARP1 (0.43) KMT2A
SCHEMBL7703612 0.85
SCHEMBL7700530 0.85 MTNR1A (0.32) TP53KMT2A
SCHEMBL7703807 0.84 MEN1 (0.35) TP53KMT2A
SCHEMBL7701326 0.84 MTNR1A (0.33) TP53KMT2A
SCHEMBL7701095 0.83 CA9 (0.35) TP53KMT2A
SCHEMBL7694853 0.83 PARP1 (0.34) KMT2A

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