SCHEMBL4785702

SCHEMBL4785702

O=C(CC1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1)NN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL4740191 0.91 ALDH1A1 (0.55) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4737393 0.90 L3MBTL1 (0.49) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4738988 0.88 SMN1; SMN2 (0.53) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4738286 0.88 LMNA (0.55) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4738285 0.87 CYP19A1 (0.55) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4741085 0.86 L3MBTL1 (0.53) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4740144 0.86 L3MBTL1 (0.61) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4786641 0.85 L3MBTL1 (0.49) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4785915 0.84 L3MBTL1 (0.51) MAPK1KDM4ETDP1ALDH1A1KMT2A
SCHEMBL4737374 0.84 L3MBTL1 (0.55) MAPK1KDM4ETDP1ALDH1A1KMT2A

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
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed