SCHEMBL366461

SCHEMBL366461

CN(C)S(=O)(=O)c1ccc2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
IDO1 P14902 1/20 0.41
AKR1B1 P15121 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
AGTR1 P30556 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGFR P00533 1/20 0.39
MCL1 Q07820 1/20 0.39
GAA P10253 2/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL366998 0.90 HTT (0.46) HTTMAPK1LMNAKDM4EMEN1
SCHEMBL367746 0.87 EGFR (0.43) LMNAKDM4EIDO1MEN1KMT2A
SCHEMBL364786 0.86 IDO1 (0.46) HTTMAPK1LMNAKDM4EIDO1
SCHEMBL365647 0.84 IDO1 (0.43) LMNAKDM4EIDO1MEN1KMT2A
SCHEMBL366132 0.83 ALDH1A1 (0.38) KDM4EIDO1MEN1KMT2AAGTR1
SCHEMBL366462 0.81 LMNA (0.46) HTTLMNAKDM4EAKR1B1MEN1
SCHEMBL365146 0.80 IDO1 (0.40) KDM4EIDO1MEN1KMT2AAGTR1
SCHEMBL367204 0.78 RORC (0.43) KDM4EIDO1MEN1KMT2AMAPT
SCHEMBL366887 0.76 KDM4E (0.56) HTTLMNAKDM4EIDO1MEN1
SCHEMBL365934 0.76 KDM4E (0.45) HTTLMNAKDM4EIDO1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed