SCHEMBL16130235

SCHEMBL16130235

Cc1ccccc1N1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N\C(C)C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.67
▸ S1PR3 Q99500 18/20 0.67
▸ CFTR P13569 1/20 0.52

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
SCHEMBL945347 0.94 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL16130304 0.92 S1PR1 (0.68) S1PR1S1PR3CFTR
SCHEMBL16130299 0.89 S1PR3 (0.71) S1PR1S1PR3CFTR
SCHEMBL944206 0.88 S1PR3 (0.69) S1PR1S1PR3
SCHEMBL12912651 0.87 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL16130305 0.87 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL16130239 0.86 CFTR (0.68) S1PR1S1PR3CFTR
SCHEMBL16130237 0.86 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL16130257 0.85 S1PR1 (0.68) S1PR1S1PR3CFTR
SCHEMBL12912654 0.85 S1PR1 (0.61) S1PR1S1PR3

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
US-RE45174-E1 Thiazolidin-4-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-09-30 — — US disclosed
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