SCHEMBL6719795

SCHEMBL6719795

C[Si](C)(C)CCOCn1c(-c2ccccc2)cc(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
NR4A2 P43354 4/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
EGFR P00533 1/20 0.36
IGF1R P08069 1/20 0.36
SRC P12931 1/20 0.36
FLT4 P35916 1/20 0.36

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
SCHEMBL6722438 0.79 ATM (0.38) DUTNPC1ALDH1A1CYP3A4HPGD
SCHEMBL6723774 0.78 NPC1 (0.37) DUTNPC1ALDH1A1CYP3A4HPGD
SCHEMBL25344963 0.77 NPC1 (0.35) DUTNPC1ALDH1A1CYP3A4HPGD
SCHEMBL23320065 0.77 HPGD (0.48) NPC1ALDH1A1HPGDPOLBMAPT
SCHEMBL6727003 0.76 NPC1 (0.37) DUTNPC1ALDH1A1CYP3A4HPGD
SCHEMBL25343757 0.75 NPC1 (0.38) NPC1ALDH1A1CYP3A4HPGDMAPT
SCHEMBL25344725 0.75 NPC1 (0.38) DUTNPC1ALDH1A1MAPTKMT2A
SCHEMBL25346003 0.75 NPC1 (0.36) DUTNPC1ALDH1A1CYP3A4HPGD
SCHEMBL6719796 0.74 DUT (0.37) DUTNPC1RAB9AALDH1A1MAPT
SCHEMBL6726798 0.74 NPC1 (0.40) DUTNPC1ALDH1A1MAPTKMT2A

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