SCHEMBL11564116

SCHEMBL11564116

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.55
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL11562054 0.96 DPP4 (0.52) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11565900 0.96 DPP4 (0.54) DPP4KDM4EPOLBTDP1MAPT
SCHEMBL11559092 0.93 DPP4 (0.49) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11562752 0.93 DPP4 (0.52) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11559127 0.92 DPP4 (0.57) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11564930 0.92 DPP4 (0.48) DPP4MEN1KMT2A
SCHEMBL11562952 0.92 DPP4 (0.51) DPP4KDM4ETDP1TSHRMAPT
SCHEMBL11562324 0.91 DPP4 (0.53) DPP4KDM4EPOLBTDP1TSHR
SCHEMBL11557480 0.91 DPP4 (0.49) DPP4KDM4EPOLBTDP1MEN1
SCHEMBL11560668 0.91 DPP4 (0.52) DPP4KDM4EPOLBTDP1TSHR

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