SCHEMBL30725865

SCHEMBL30725865

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PDE4A P27815 3/20 0.38
PDE4D Q08499 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CFTR P13569 3/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
PKM P14618 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PGR P06401 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL29172508 1.00 L3MBTL1 (0.41) L3MBTL1PDE4APDE4DALDH1A1PDE4B
SCHEMBL30725861 0.88 CFTR (0.44) L3MBTL1PDE4APDE4DALDH1A1PDE4B
SCHEMBL5518753 0.85 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL3515098 0.84 MAPT (0.42) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL29172516 0.81 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL30725860 0.81 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL16014237 0.81 L3MBTL1 (0.41) L3MBTL1PDE4APDE4DPDE4BPDE4C
SCHEMBL3515950 0.81 L3MBTL1 (0.47) L3MBTL1PDE4APDE4DPDE4BPDE4C
SCHEMBL29172523 0.80 MAPT (0.42) L3MBTL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL16014236 0.79 DGAT1 (0.34) NPC1CNR1ACHECNR2

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