SCHEMBL6722438

SCHEMBL6722438

Cc1cc(=O)[nH]c(=O)n1COCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38
DUT P33316 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 8/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TYMP P19971 2/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL6723774 0.84 NPC1 (0.37) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6727003 0.83 NPC1 (0.37) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25346003 0.82 NPC1 (0.36) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25344725 0.82 NPC1 (0.38) NPC1DUTHTTALDH1A1MAPT
SCHEMBL25344963 0.81 NPC1 (0.35) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6726798 0.81 NPC1 (0.40) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL6719796 0.81 DUT (0.37) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25345207 0.81 NPC1 (0.35) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL25346960 0.80 NPC1 (0.47) NPC1DUTALDH1A1MAPTMEN1
SCHEMBL23415160 0.80 DUT (0.36) NPC1DUTALDH1A1MAPTTHRB

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
US-6673804-B1 PREVENTING OR TREATING ARTHRITIS (PARTICULARLY OSTEOARTHRITIS) OR INHIBITING METASTASIS, INVASION OR GROWTH OF CANCER (PARTICULARLY BREAST CANCER) SANKYO COMPANY, LIMITED (JP) 2004-01-06 US disclosed
EP-1069110-A1 SULFONAMIDE DERIVATIVES Sankyo Company Limited (JP) 2001-01-17 EP disclosed