SCHEMBL27622641

SCHEMBL27622641

O=C1COCCN1CCc1nnc(NS(=O)(=O)c2sccc2Cl)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ENPP2 Q13822 4/20 0.34
APLNR P35414 1/20 0.33
SPR P35270 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
GLS O94925 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL27603916 0.83 SCN9A (0.34) ALDH1A1APLNRSPR
SCHEMBL5831699 0.83 HSD11B1 (0.44) ALDH1A1L3MBTL1ENPP2MAPK1HSD17B10
SCHEMBL5830894 0.83 KMT2A (0.41) ALDH1A1L3MBTL1ENPP2GLSKMT2A
SCHEMBL5831423 0.82 ALDH1A1 (0.35) ALDH1A1L3MBTL1ENPP2MAPK1HSD17B10
SCHEMBL5831576 0.81 HSD11B1 (0.46) ALDH1A1L3MBTL1
SCHEMBL5830665 0.79 HSD11B1 (0.39) ALDH1A1L3MBTL1ENPP2APLNRGLS
SCHEMBL5831015 0.77 CA1 (0.54) ALDH1A1L3MBTL1MAPK1KMT2ASMN1; SMN2
SCHEMBL5831631 0.77 AADAT (0.45) ALDH1A1L3MBTL1HSD17B10PKMKMT2A
SCHEMBL5831583 0.76 ALDH1A1 (0.46) ALDH1A1PKMKMT2ASMN1; SMN2RECQL
SCHEMBL6623399 0.76 HSD11B1 (0.45) ALDH1A1GLSATM

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-1649855-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2005-08-03 CN claimed
CN-1649855-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2005-08-03 CN disclosed