SCHEMBL6726798

SCHEMBL6726798

CC(=O)c1cc(=O)[nH]c(=O)n1COCC[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
DUT P33316 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
THRB P10828 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.32
F11 P03951 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL25346960 0.88 NPC1 (0.47) NPC1DUTMAPTALDH1A1THRB
SCHEMBL25346325 0.87 NPC1 (0.39) NPC1DUTMAPTALDH1A1THRB
SCHEMBL6726956 0.85 NPC1 (0.38) NPC1MAPTALDH1A1L3MBTL1MEN1
SCHEMBL6722438 0.81 ATM (0.38) NPC1DUTMAPTALDH1A1THRB
SCHEMBL25344725 0.80 NPC1 (0.38) NPC1DUTMAPTALDH1A1THRB
SCHEMBL6723774 0.80 NPC1 (0.37) NPC1DUTMAPTALDH1A1THRB
SCHEMBL6727003 0.78 NPC1 (0.37) NPC1DUTMAPTALDH1A1THRB
SCHEMBL25346003 0.77 NPC1 (0.36) NPC1DUTMAPTALDH1A1THRB
SCHEMBL6719796 0.76 DUT (0.37) NPC1DUTMAPTALDH1A1THRB
SCHEMBL25344963 0.76 NPC1 (0.35) NPC1DUTMAPTALDH1A1THRB

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