SCHEMBL1377672

SCHEMBL1377672

O=S(=O)(Nc1ccnc(C2CCC2)n1)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
TDP1 Q9NUW8 2/20 0.48
GLO1 Q04760 1/20 0.48
LMNA P02545 6/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1378007 0.95 HSD11B1 (0.55) HSD11B1MEN1KMT2ATDP1GLO1
SCHEMBL1379633 0.80 KDM4E (0.50) HSD11B1TDP1GLO1LMNAKDM4E
SCHEMBL1377807 0.79 HSD11B1 (0.54) HSD11B1MEN1KMT2ALMNAKDM4E
SCHEMBL29227870 0.78 HSD11B1 (0.59) HSD11B1MEN1KMT2ATDP1GLO1
SCHEMBL30939457 0.78 HSD11B1 (0.59) HSD11B1MEN1KMT2ATDP1GLO1
SCHEMBL1377739 0.76 GLO1 (0.54) MEN1KMT2AGLO1LMNAKDM4E
SCHEMBL1379254 0.76 HSD11B1 (0.60) HSD11B1MEN1KMT2ATDP1GLO1
SCHEMBL1378609 0.75 HSD11B1 (0.59) HSD11B1MEN1KMT2ATDP1GLO1
SCHEMBL9942079 0.73 KDM4E (0.68) HSD11B1MEN1KMT2ATDP1GLO1
SCHEMBL1381599 0.72 ALDH1A1 (0.50) MEN1KMT2ALMNAKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4809339-B2 2011-11-09 JP claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP disclosed