SCHEMBL30725860

SCHEMBL30725860

C[Si](C)(C)CCOCn1nc(-c2cccc([N+](=O)[O-])c2)c2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
HDAC2 Q92769 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCC1 P33527 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SETD7 Q8WTS6 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
ELANE P08246 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
GPR17 Q13304 1/20 0.41

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
SCHEMBL29172516 1.00 L3MBTL1 (0.48) L3MBTL1ACHEBACE1MEN1KMT2A
SCHEMBL29172523 0.93 MAPT (0.42) L3MBTL1ACHEBACE1MEN1KMT2A
SCHEMBL29172513 0.92 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTABCB1
SCHEMBL30725850 0.92 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMAPTABCB1
SCHEMBL30725868 0.91 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AMAPTABCB1
SCHEMBL29172482 0.91 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AMAPTABCB1
SCHEMBL29172522 0.91 L3MBTL1 (0.43) L3MBTL1ACHEBACE1MEN1KMT2A
SCHEMBL29172524 0.84 PRKCA (0.43) MAPTNPC1RAB9ALMNA
SCHEMBL30725861 0.83 CFTR (0.44) L3MBTL1MEN1KMT2AMAPTRXFP1
SCHEMBL5518753 0.82 L3MBTL1 (0.58) L3MBTL1ACHEMEN1KMT2AMAPT

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
CN-117186066-A Indazole ALK5 inhibitor and preparation method and application thereof 中国药科大学 2023-12-08 CN disclosed