SCHEMBL31252955

SCHEMBL31252955

CCN(CC)c1ccc(C=Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.66
▸ TP53 P04637 1/20 0.66
▸ ALDH1A1 P00352 10/20 0.64
▸ MEN1 O00255 9/20 0.64
▸ KMT2A Q03164 9/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ SMN1; SMN2 Q16637 7/20 0.64
▸ KDM4E B2RXH2 6/20 0.64
▸ HPGD P15428 6/20 0.64
▸ PKM P14618 3/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ LMNA P02545 7/20 0.62
▸ GAA P10253 4/20 0.62
▸ GLA P06280 2/20 0.62
▸ HTT P42858 4/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ ATP4A P20648 1/20 0.57

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
SCHEMBL1298605 1.00 MAPT (0.66) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL1298603 1.00 MAPT (0.66) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL15624226 0.87 NPC1 (0.73) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL30422072 0.85 MAPT (0.61) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL31252953 0.85 MAPT (0.71) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL2497906 0.85 MAPT (0.71) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL2497904 0.85 MAPT (0.71) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL31305038 0.84 NPC1 (0.89) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL6482368 0.82 MAPT (0.46) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL5572508 0.80 NPC1 (0.76) MAPTTP53ALDH1A1MEN1KMT2A

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-118812310-A Method for producing organic compound 大金工业株式会社 2024-10-22 — — CN disclosed
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