SCHEMBL11558404

SCHEMBL11558404

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA9 Q16790 1/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
SLC22A8 Q8TCC7 1/20 0.30
ABCC2 Q92887 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
UGT1A7 Q9HAW7 1/20 0.30
SLC22A11 Q9NSA0 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
SCHEMBL11566432 0.97 DPP4 (0.52) DPP4KDM4EPOLBTDP1CA12
SCHEMBL11565704 0.97 DPP4 (0.47) DPP4KDM4EPOLBTDP1CA12
SCHEMBL11562324 0.93 DPP4 (0.53) DPP4KDM4EPOLBTDP1CA12
SCHEMBL11560668 0.93 DPP4 (0.52) DPP4KDM4EPOLBTDP1
SCHEMBL11566773 0.92 DPP4 (0.44) DPP4KDM4EPOLBTDP1CA12
SCHEMBL11564107 0.92 DPP4 (0.47) DPP4KDM4EPOLBTDP1
SCHEMBL11562752 0.92 DPP4 (0.52) DPP4KDM4EPOLBTDP1CA12
SCHEMBL11559174 0.92 DPP4 (0.49) DPP4KDM4EPOLBTDP1
SCHEMBL11562054 0.91 DPP4 (0.52) DPP4KDM4EPOLBTDP1
SCHEMBL11564247 0.90 DPP4 (0.50) DPP4CA12CA2RAB9ASMN1; SMN2

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