SCHEMBL17664005

SCHEMBL17664005

CC(=O)NC(C(N)=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.49
S1PR2 O95136 2/20 0.49
SYK P43405 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
USP9X Q93008 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
OGG1 O15527 1/20 0.42
PARP1 P09874 1/20 0.42
ADRA1D P25100 1/20 0.42
S1PR1 P21453 2/20 0.42
S1PR4 O95977 1/20 0.42

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
SCHEMBL5744363 0.87 S1PR3 (0.51) S1PR3S1PR2USP9XKEAP1NFE2L2
SCHEMBL7397371 0.84 S1PR3 (0.47) S1PR3S1PR2SYKTRPM8KEAP1
SCHEMBL23716154 0.84 ROCK2 (0.48) SYKTRPM8KEAP1NFE2L2OGG1
SCHEMBL13710935 0.84 ROCK2 (0.48) SYKTRPM8KEAP1NFE2L2OGG1
SCHEMBL13707887 0.81 ALDH1A1 (0.49) S1PR3S1PR2SYKTRPM8SMN1; SMN2
SCHEMBL17664004 0.80 S1PR3 (0.54) S1PR3S1PR2SYKTRPM8SMN1; SMN2
SCHEMBL19658438 0.80 LMNA (0.46) LMNA
SCHEMBL19658733 0.80 LMNA (0.46) LMNA
SCHEMBL12880512 0.80 LMNA (0.46) LMNA
SCHEMBL17664466 0.79 S1PR3 (0.51) S1PR3S1PR2KEAP1NFE2L2MEN1

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
WO-2016053855-A1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-04-07 WO disclosed