SCHEMBL7694853

SCHEMBL7694853

CC(=S)c1cccc2c1OCCC(C(=O)N=C(N)NOS(C)(=O)=O)=C2

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
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
SCHEMBL7697135 0.92 PARP1 (0.43) PARP1KMT2A
SCHEMBL7701095 0.90 CA9 (0.35) PARP1KMT2A
SCHEMBL7701052 0.89 PARP1 (0.33) PARP1
SCHEMBL7700710 0.86 KMT2A (0.31) PARP1KMT2A
SCHEMBL7701257 0.85 KMT2A (0.31) PARP1KMT2A
SCHEMBL7702070 0.83 KMT2A (0.30) KMT2A
SCHEMBL7696977 0.83 KMT2A (0.30) KMT2A
SCHEMBL7700274 0.83 TP53 (0.30) KMT2A
SCHEMBL7700530 0.83 MTNR1A (0.32) KMT2A
SCHEMBL7695184 0.83 KMT2A (0.32) 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