SCHEMBL31569080

SCHEMBL31569080

COC(=O)c1nc2cccc(CO[Si](C)(C)C(C)(C)C)c2n1COCC[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.33
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DUT P33316 1/20 0.31
TACR1 P25103 1/20 0.31
DGAT1 O75907 4/20 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
SCHEMBL31569178 0.81 NPC1 (0.36) F11KLKB1NPC1MAPTKDM4E
SCHEMBL31569266 0.80 F11 (0.37) F11KLKB1NPC1MAPTKDM4E
SCHEMBL31569201 0.79 NPC1 (0.35) F11KLKB1NPC1MAPTKDM4E
SCHEMBL31569374 0.75 KLKB1 (0.36) KLKB1NPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL31569432 0.73 MAPT (0.33) F11KLKB1NPC1MAPTKDM4E
SCHEMBL3077373 0.73 NPC1 (0.39) F11KLKB1NPC1MAPT
SCHEMBL16330880 0.69 DGAT1 (0.38) BACE1KLKB1DUTDGAT1
SCHEMBL3059528 0.69 NPC1 (0.41) F11KLKB1NPC1MAPTKDM4E
SCHEMBL2827211 0.69 MAPT (0.30) MAPTDGAT1
SCHEMBL2824004 0.69 MAPT (0.32) MAPTDGAT1

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
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 WO disclosed