SCHEMBL11564882

SCHEMBL11564882

C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)N(CCC)CCCCC)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.49
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
CA2 P00918 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
UGT1A7 Q9HAW7 1/20 0.32
SLC22A11 Q9NSA0 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL11563733 0.99 DPP4 (0.48) DPP4CA12CA9CA2RAB9A
SCHEMBL11564247 0.97 DPP4 (0.50) DPP4CA12CA9CA2RAB9A
SCHEMBL11562324 0.96 DPP4 (0.53) DPP4CA12CA9CA2RAB9A
SCHEMBL11563757 0.94 DPP4 (0.50) DPP4SMN1; SMN2ALDH1A1
SCHEMBL11559537 0.94 DPP4 (0.52) DPP4SMN1; SMN2MAPTALDH1A1
SCHEMBL11564356 0.94 DPP4 (0.49) DPP4SMN1; SMN2MAPTALDH1A1
SCHEMBL11564001 0.94 DPP4 (0.49) DPP4MAPTALDH1A1
SCHEMBL11566432 0.92 DPP4 (0.52) DPP4CA12CA9CA2RAB9A
SCHEMBL11562752 0.92 DPP4 (0.52) DPP4CA12CA9CA2RAB9A
SCHEMBL11564417 0.91 DPP4 (0.47) DPP4

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-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed