SCHEMBL13020134

SCHEMBL13020134

CC(C)Oc1ccc(-c2nnc(I)s2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.71
S1PR3 Q99500 1/20 0.71

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
SCHEMBL1293503 0.84 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL1293296 0.83 S1PR1 (0.71) S1PR1S1PR3
SCHEMBL2606636 0.81 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3433651 0.77 S1PR1 (0.66) S1PR1S1PR3
SCHEMBL15662755 0.77 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL2117073 0.75 S1PR1 (0.65) S1PR1S1PR3
SCHEMBL18360139 0.74 S1PR1 (0.67) S1PR1S1PR3
Hydrochloric Acid SCHEMBL2115288 0.74 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL1293465 0.74 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL21095772 0.74 RAB9A (0.64) 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
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed