SCHEMBL11564417

SCHEMBL11564417

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
TACR1 P25103 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
SCHEMBL11556889 0.99 DPP4 (0.46) DPP4KDM4EPOLBTDP1LMNA
SCHEMBL11564333 0.97 DPP4 (0.48) DPP4KDM4EPOLBTDP1LMNA
SCHEMBL11565403 0.96 DPP4 (0.47) DPP4ZDHHC20ZDHHC2TACR1
SCHEMBL11560988 0.96 DPP4 (0.45) DPP4KDM4EPOLBTDP1LMNA
SCHEMBL11563528 0.95 DPP4 (0.46) DPP4ZDHHC20ZDHHC2
SCHEMBL11564001 0.94 DPP4 (0.49) DPP4KDM4EPOLBTDP1LMNA
SCHEMBL11563757 0.92 DPP4 (0.50) DPP4KDM4ELMNA
SCHEMBL11562091 0.92 DPP4 (0.45) DPP4KDM4EPOLBTDP1LMNA
SCHEMBL11559174 0.92 DPP4 (0.49) DPP4KDM4EPOLBTDP1LMNA
SCHEMBL11564356 0.91 DPP4 (0.49) DPP4KDM4ELMNAHTTZDHHC20

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