SCHEMBL29448247

SCHEMBL29448247

COc1ccc(NC(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2NC(=O)Nc2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
PTK2B Q14289 1/20 0.53
SMN1; SMN2 Q16637 7/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 2/20 0.51
HIF1A Q16665 2/20 0.51
PKM P14618 3/20 0.50
PGR P06401 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NAMPT P43490 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
AR P10275 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SAE1 Q9UBE0 1/20 0.49

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
SCHEMBL28712008 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1PTK2BSMN1; SMN2RAB9A
SCHEMBL29448252 0.90 PGR (0.64) MAPTPGRNAMPTMEN1KMT2A
SCHEMBL28700258 0.90 PGR (0.64) MAPTPGRNAMPTMEN1KMT2A
SCHEMBL29448253 0.90 NAMPT (0.54) ALDH1A1SMN1; SMN2NPC1PGRNAMPT
SCHEMBL28705140 0.90 NAMPT (0.54) ALDH1A1SMN1; SMN2NPC1PGRNAMPT
SCHEMBL29448250 0.87 HPGD (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28696239 0.87 HPGD (0.51) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL28696250 0.85 HPGD (0.69) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL29448260 0.85 HPGD (0.69) ALDH1A1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL29448249 0.82 NAMPT (0.51) SMN1; SMN2RAB9ANPC1MAPTPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267939-B Thermosensitive recording material 奥古斯特科勒纸厂欧洲公司 2022-03-15 CN disclosed