SCHEMBL28795169

SCHEMBL28795169

CCCCN(C(=O)Cc1ccccc1Cl)c1nnc(-c2ccc(CCN3CC(C(=O)O)C3)cc2C)s1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.69
S1PR3 Q99500 6/20 0.69
S1PR4 O95977 1/20 0.52
S1PR5 Q9H228 1/20 0.52
LMNA P02545 1/20 0.43

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
SCHEMBL1964841 0.93 S1PR1 (0.81) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1966678 0.91 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1965049 0.89 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL27856172 0.85 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27838325 0.85 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1966681 0.85 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1966424 0.84 S1PR1 (0.80) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1647943 0.83 S1PR1 (0.70) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL27838353 0.82 S1PR1 (0.54) S1PR1S1PR3S1PR4S1PR5LMNA
SCHEMBL1966070 0.82 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5

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
CN-102186847-A novel 2-amido thiadiazole derivatives ALMIRALL SA 2011-09-14 CN disclosed