SCHEMBL23716127

SCHEMBL23716127

C/C(Br)=C\C=C(/N)C(NNOc1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.35
SYK P43405 1/20 0.33
SLC6A4 P31645 1/20 0.33
WDR5 P61964 1/20 0.33
RPS6KB1 P23443 3/20 0.31
AURKA O14965 2/20 0.31
POLB P06746 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
AOC3 Q16853 2/20 0.30
CTSL P07711 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
S1PR2 O95136 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
SCHEMBL23716111 0.80 OGG1 (0.45) OGG1SYKSLC6A4WDR5RPS6KB1
SCHEMBL23716062 0.78 SIGMAR1 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23715916 0.73 OGG1 (0.44) OGG1SLC6A4WDR5P2RX4
SCHEMBL23716306 0.73 S1PR3 (0.56) S1PR2S1PR3
SCHEMBL23716140 0.72 S1PR3 (0.32) S1PR3
SCHEMBL23716193 0.71 OGG1 (0.44) OGG1WDR5POLB
SCHEMBL23715829 0.64 S1PR3 (0.44) S1PR2S1PR3
SCHEMBL23716117 0.64 OGG1 (0.38) OGG1SLC6A4WDR5AOC3MAOB
SCHEMBL23716135 0.64 KMT2A (0.37) SYKPOLBCTSL
SCHEMBL17664005 0.63 S1PR3 (0.49) OGG1SYKS1PR2S1PR3

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