SCHEMBL11564405

SCHEMBL11564405

CCCCN(CC)C(=O)n1cnc(S(=O)(=O)N(CC)CC)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
DPP4 P27487 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL11558806 0.96 DPP4 (0.35) TSHRDPP4CA12CA1CA9
SCHEMBL11558627 0.95 DPP4 (0.35) TSHRDPP4CA12CA1CA9
SCHEMBL11562630 0.95 TSHR (0.39) TSHRDPP4CA12CA1CA9
SCHEMBL11561648 0.94 TSHR (0.41) TSHRDPP4CA12CA1CA9
SCHEMBL11567141 0.92 DPP4 (0.37) TSHRDPP4CA12CA1CA9
SCHEMBL11563035 0.90 TSHR (0.38) TSHRDPP4KDM4EALDH1A1LMNA
SCHEMBL11561239 0.89 DPP4 (0.40) TSHRDPP4KDM4EALDH1A1LMNA
SCHEMBL11567841 0.89 DPP4 (0.34) TSHRDPP4KDM4EALDH1A1HPGD
SCHEMBL11563939 0.89 TSHR (0.38) TSHRDPP4CA12CA1CA9
SCHEMBL11561804 0.89 TSHR (0.38) TSHRDPP4CA12CA1CA9

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