SCHEMBL11566458

SCHEMBL11566458

C=CCN(CC)C(=O)n1cnc(S(=O)(=O)N2CCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
GAA P10253 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
SCHEMBL11562219 0.99 DPP4 (0.53) DPP4SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11564344 0.94 DPP4 (0.59) DPP4SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL11563947 0.93 DPP4 (0.58) DPP4SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL11587252 0.93 DPP4 (0.58) DPP4SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL11563596 0.91 DPP4 (0.50) DPP4SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL11566923 0.89 KMT2A (0.42) DPP4SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11559102 0.88 ALDH1A1 (0.41) DPP4SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL11566494 0.86 DPP4 (0.46) DPP4KMT2AMEN1L3MBTL1LMNA
SCHEMBL11559735 0.84 DPP4 (0.59) DPP4KMT2AMEN1NPSR1LMNA
SCHEMBL11559316 0.82 TSHR (0.40) DPP4SMN1; SMN2KMT2AALDH1A1KDM4E

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