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SCHEMBL2124802

SCHEMBL2124802

CC(C)Oc1ccc(-c2ncc(-c3ccnc4c3ccn4CCCC(=O)OC(=O)CCn3ccc4c(-c5cnc(-c6ccc(OC(C)C)c(Cl)c6)s5)ccnc43)s2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 17/20 0.42
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.39
▸ KMO O15229 1/20 0.37

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
SCHEMBL2124798 0.92 S1PR1 (0.51) S1PR1CYP2C19CYP2C9KCNH2S1PR5
SCHEMBL2125905 0.92 S1PR1 (0.50) S1PR1CYP2C19CYP2C9KCNH2S1PR5
SCHEMBL2123243 0.92 S1PR1 (0.43) S1PR1CYP2C19CYP2C9KCNH2S1PR5
SCHEMBL2125570 0.90 S1PR1 (0.45) S1PR1CYP2C19CYP2C9KCNH2S1PR5
SCHEMBL2125497 0.90 S1PR1 (0.53) S1PR1CYP2C19CYP2C9KCNH2S1PR5
SCHEMBL2124261 0.82 S1PR1 (0.59) S1PR1S1PR5
SCHEMBL2124237 0.82 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL2125901 0.80 S1PR1 (0.53) S1PR1S1PR5
SCHEMBL2132203 0.80 S1PR1 (0.62) S1PR1S1PR5
SCHEMBL2123838 0.76 S1PR1 (0.44) S1PR1CYP2C9S1PR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 — — EP claimed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — WO claimed
EP-2443115-A1 COMPOUNDS Glaxo Group Limited (GB) 2012-04-25 — — EP disclosed
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 — — WO disclosed