SCHEMBL11566923

SCHEMBL11566923

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
DPP4 P27487 2/20 0.42
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL11559102 0.99 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11559316 0.89 TSHR (0.40) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11566458 0.89 DPP4 (0.53) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11559404 0.88 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EDPP4L3MBTL1
SCHEMBL11565457 0.88 TSHR (0.39) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11559345 0.88 DPP4 (0.37) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11567616 0.88 DPP4 (0.37) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11562219 0.88 DPP4 (0.53) KMT2AALDH1A1KDM4EDPP4MEN1
SCHEMBL11559837 0.88 DPP4 (0.41) KMT2AALDH1A1DPP4MEN1L3MBTL1
SCHEMBL5380311 0.85 DPP4 (0.43) KMT2AALDH1A1KDM4EDPP4MEN1

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