SCHEMBL4566348

SCHEMBL4566348

CC(C)(C)CN(Cc1cc(S(=O)(=O)c2cccnc2)n(-c2cccc(Cl)c2F)n1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 15/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
RIPK1 Q13546 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL3706681 0.92
SCHEMBL3695804 0.92 ABCC9 (0.34) PTGER2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3688572 0.90 RIPK1 (0.34) RIPK1
SCHEMBL3705296 0.89 NAMPT (0.34) PTGER2TAS2R14ABCC9ABCC8KCNJ11
SCHEMBL3699813 0.89 ABCC9 (0.34) PTGER2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3808574 0.88 ABCC9 (0.35) PTGER2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4123658 0.88 TAS2R14 (0.35) PTGER2TAS2R14RIPK1HTT
SCHEMBL3693161 0.85 NAMPT (0.36) PTGER2TAS2R14ABCC9ABCC8KCNJ11
SCHEMBL3701318 0.85 NAMPT (0.36) PTGER2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3703103 0.84 NAMPT (0.33) PTGER2ABCC9ABCC8KCNJ11KCNJ8

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-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed