SCHEMBL1968154

SCHEMBL1968154

CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(=O)[nH]c2)s1.CCN(C(=O)c1ccccc1F)c1nnc(-c2cc(C)c(CCC(=O)O)c(C)c2)s1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.80
S1PR3 Q99500 7/20 0.57
S1PR4 O95977 1/20 0.51
S1PR5 Q9H228 1/20 0.51

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
SCHEMBL1964896 0.90 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964406 0.86 S1PR1 (0.68) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2296720 0.86 S1PR1 (0.83) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1964939 0.82 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13381039 0.79 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1969254 0.79 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1967137 0.78 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13442316 0.78 S1PR1 (0.77) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966584 0.78 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5
SCHEMBL1966270 0.78 S1PR1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed