SCHEMBL23716111

SCHEMBL23716111

NC(=O)C(NNOc1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.45
SYK P43405 1/20 0.42
WDR5 P61964 1/20 0.39
SLC6A4 P31645 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
PARP1 P09874 1/20 0.38
RPS6KB1 P23443 2/20 0.37
AURKA O14965 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL23715916 0.93 OGG1 (0.44) OGG1WDR5SLC6A4TRPM8FNTA
SCHEMBL23716193 0.90 OGG1 (0.44) OGG1WDR5PARP1
SCHEMBL23716127 0.80 OGG1 (0.35) OGG1SYKWDR5SLC6A4RPS6KB1
SCHEMBL23716135 0.79 KMT2A (0.37) SYKPARP1
SCHEMBL23715793 0.77 SYK (0.45) SYKPARP1FNTAFNTB
SCHEMBL23716180 0.76 S1PR3 (0.44) OGG1SYKTRPM8
SCHEMBL13710935 0.76 ROCK2 (0.48) OGG1SYKTRPM8PARP1
SCHEMBL23716154 0.76 ROCK2 (0.48) OGG1SYKTRPM8PARP1
SCHEMBL23715829 0.74 S1PR3 (0.44)
SCHEMBL23716330 0.74 MDM2 (0.38) SLC6A4

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed