SCHEMBL23716154

SCHEMBL23716154

CNC(C(N)=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
SYK P43405 1/20 0.46
TRPM8 Q7Z2W7 5/20 0.46
PARP1 P09874 1/20 0.44
OGG1 O15527 1/20 0.44
ADRA1D P25100 1/20 0.44
ACP3 P15309 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL13710935 1.00 ROCK2 (0.48) ROCK2SYKTRPM8PARP1OGG1
SCHEMBL13707887 0.84 ALDH1A1 (0.49) SYKTRPM8PARP1OGG1ADRA1D
SCHEMBL17664005 0.84 S1PR3 (0.49) SYKTRPM8PARP1OGG1ADRA1D
SCHEMBL13710921 0.81 SYK (0.47) ROCK2SYKPARP1ACP3
SCHEMBL7397371 0.81 S1PR3 (0.47) SYKTRPM8PARP1ADRA1DKEAP1
SCHEMBL13710925 0.80 HDAC4 (0.50) ROCK2PARP1
SCHEMBL23716167 0.79 FFAR2 (0.47) ROCK2ADRB2
SCHEMBL13710920 0.79 L3MBTL1 (0.57) ROCK2TRPM8PARP1
SCHEMBL5089604 0.78 LMNA (0.44)
SCHEMBL10090088 0.78 LMNA (0.44)

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