SCHEMBL31056189

SCHEMBL31056189

CN(C)c1nc2cc(C(=O)O)cc(C3OCCO3)c2n1COCC[Si](C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
KLKB1 P03952 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
SCHEMBL31056317 0.84
SCHEMBL31056658 0.79 KLKB1 (0.34) NPC1KLKB1
SCHEMBL31056707 0.79 HCAR3 (0.38) NPC1KLKB1
SCHEMBL31056438 0.77 KLKB1 (0.32) NPC1KLKB1
SCHEMBL31055961 0.77 NPC1 (0.37) NPC1KLKB1
SCHEMBL31056157 0.69 CSNK2A2 (0.32) NPC1KLKB1
SCHEMBL31056675 0.68 NPC1 (0.32) NPC1
SCHEMBL31056295 0.68 DGAT1 (0.31)
SCHEMBL31056015 0.67 NPC1 (0.36) NPC1KLKB1
SCHEMBL2749549 0.64 HSD17B10 (0.52) NPC1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed