SCHEMBL30839258

SCHEMBL30839258

O=[N+]([O-])c1ccc2c(c1)nnn2C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HCAR3 P49019 4/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL29175741 1.00 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTHCAR3RAB9A
SCHEMBL30839246 0.80 HCAR3 (0.47) L3MBTL1ALDH1A1MAPTHCAR3RAB9A
SCHEMBL794476 0.80 HCAR3 (0.47) ALDH1A1MAPTHCAR3SMN1; SMN2HPGD
SCHEMBL29175771 0.80 HCAR3 (0.47) L3MBTL1ALDH1A1MAPTHCAR3RAB9A
SCHEMBL5413224 0.78 RXRA (0.54) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL21198132 0.77 CYP1A2 (0.44) L3MBTL1ALDH1A1MAPTRAB9ANPC1
SCHEMBL794446 0.77 HCAR3 (0.44) ALDH1A1MAPTHCAR3POLBLMNA
SCHEMBL16308649 0.76 MAPT (0.40) L3MBTL1ALDH1A1MAPTRAB9ANPC1
SCHEMBL5375050 0.76 CYP1A2 (0.39) L3MBTL1ALDH1A1MAPTRAB9ANPC1
SCHEMBL31482836 0.76 CYP1A2 (0.39) L3MBTL1ALDH1A1MAPTRAB9ANPC1

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-117756805-A Pteridinone derivatives as RSK inhibitors and their use 华东师范大学 2024-03-26 — — CN disclosed
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