SCHEMBL27599862

SCHEMBL27599862

CC(=O)OCCc1cc(OS(=O)(=O)C(F)(F)F)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
RAD52 P43351 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 3/20 0.35
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
ALOX5 P09917 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
CXCR2 P25025 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4078469 0.79 GAA (0.45) HSD11B1TDP1L3MBTL1KDM4E
SCHEMBL27599866 0.79 ALDH1A1 (0.47) L3MBTL1ALOX5KDM4E
SCHEMBL27618397 0.77 HTR1A (0.37) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL27821075 0.77 HSD11B1 (0.43) HSD11B1TDP1HTR1AHTR1DHTR1B
SCHEMBL27799850 0.77 HSD11B1 (0.43) HSD11B1HTR1AHTR1DHTR1BCXCR2
SCHEMBL27599865 0.76 RAD52 (0.45) RAD52TDP1L3MBTL1SIRT5KDM4E
SCHEMBL27665035 0.74 HSD11B1 (0.43) HSD11B1RAD52MTNR1AMTNR1BHTR1A
SCHEMBL27797837 0.74 MEN1 (0.45)
SCHEMBL2654823 0.73 NQO2 (0.49) HSD11B1KDM4E
SCHEMBL6989892 0.72 CDYL (0.53) RAD52MTNR1ATDP1L3MBTL1SIRT5

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
CN-100351251-C Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-11-28 CN disclosed
CN-1639153-A Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-07-13 CN disclosed