SCHEMBL30518143

SCHEMBL30518143

O=C(NO)c1ccc(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.69
▸ HDAC6 Q9UBN7 4/20 0.63
▸ HDAC1 Q13547 4/20 0.60
▸ HDAC4 P56524 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ POLB P06746 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HRH4 Q9H3N8 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA7 P43166 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL29078102 1.00 GRIN2B (0.69) GRIN2BHDAC6HDAC1HDAC4KCNH2
Befuraline SCHEMBL30036410 0.86 GRIN2B (0.91) GRIN2BALDH1A1MEN1KMT2APOLB
Befuraline SCHEMBL499156 0.86 GRIN2B (0.91) GRIN2BALDH1A1MEN1KMT2APOLB
SCHEMBL4991177 0.85 GRIN2B (0.77) GRIN2BALDH1A1MEN1KMT2APOLB
Befuraline SCHEMBL4320804 0.85 GRIN2B (0.88) GRIN2BALDH1A1MEN1KMT2APOLB
SCHEMBL29078247 0.85 SIGMAR1 (0.52) GRIN2BHDAC6HDAC1HDAC4KCNH2
SCHEMBL30518022 0.85 SIGMAR1 (0.52) GRIN2BHDAC6HDAC1HDAC4KCNH2
SCHEMBL6501271 0.79 GRIN2B (0.70) GRIN2BALDH1A1MEN1KMT2APOLB
SCHEMBL16599028 0.78 ALDH1A1 (0.78) GRIN2BALDH1A1MAPTSMN1; SMN2
SCHEMBL29078165 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC4KCNH2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116535343-A Hydroxamic acid compound and application thereof 温州医科大学 2023-08-04 — — CN claimed
CN-116535343-A Hydroxamic acid compound and application thereof 温州医科大学 2023-08-04 — — CN disclosed
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