SCHEMBL6719573

SCHEMBL6719573

C[Si](C)(C)CCOCn1c(=O)[nH]c(=O)c2sccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.47
GRIA1 P42261 1/20 0.47
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
ERCC5 P28715 1/20 0.32
PDE5A O76074 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DUT P33316 1/20 0.31
EGFR P00533 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
SCHEMBL6719104 0.77 NPC1 (0.53) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6726529 0.77 ALDH1A1 (0.33) NPC1ALDH1A1PKMKDM4EPDE5A
SCHEMBL6726785 0.76 NPC1 (0.37) NPC1ALDH1A1MAPTEGFRIGF1R
SCHEMBL30791436 0.74 CYP1A2 (0.55) NPC1ALDH1A1KMT2AMEN1MAPT
SCHEMBL5129680 0.72 NPC1 (0.37) NPC1MAPTERCC5
SCHEMBL6722410 0.72 EGFR (0.39) NPC1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6723712 0.72 ADORA2B (0.37) NPC1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL1244925 0.71 MAPT (0.37) NPC1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL18689573 0.70 GRIK1 (0.48) GRIK1GRIA1ALDH1A1KMT2APKM
SCHEMBL25344514 0.69 ALDH1A1 (0.39) NPC1ALDH1A1PKMMAPTKDM4E

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