SCHEMBL3853249

SCHEMBL3853249

CN(c1ccccc1)S(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.57
KDM4E B2RXH2 2/20 0.55
PGR P06401 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
PKM P14618 1/20 0.46
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.42
PTGS2 P35354 1/20 0.42
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H3 Q13133 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL9306541 0.83 ALOX5AP (0.57) ALOX5APFEN1KMT2AMEN1HTT
SCHEMBL6535002 0.80 MCOLN3 (0.78) MCOLN3KDM4EPGRCA12CA9
SCHEMBL15924549 0.80 ALOX5AP (0.44) ALOX5APFEN1KMT2AMEN1PTGS2
SCHEMBL6904423 0.80 OPRM1 (0.58) ALOX5APFEN1KMT2AMEN1PTGS2
SCHEMBL6698432 0.80 ALOX5AP (0.58) ALOX5APFEN1KMT2AMEN1HTT
SCHEMBL10782653 0.80 ALOX5AP (0.44) CA12CA9ALOX5APFEN1KMT2A
SCHEMBL3823916 0.78 MCOLN3 (0.60) MCOLN3KDM4EPGRCA12CA9
SCHEMBL3822613 0.78 MCOLN3 (0.60) MCOLN3KDM4EPGRCA12CA9
SCHEMBL10957993 0.77 SMN1; SMN2 (0.46) KDM4EALOX5APFEN1KMT2AMEN1
SCHEMBL6534930 0.76 MCOLN3 (0.58) MCOLN3KDM4EPGRCA12CA9

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
CN-109641472-B Recording material and recording sheet 日本曹达株式会社 2021-07-27 CN disclosed
EP-2104677-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008084005-A1 SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed