SCHEMBL31390758

SCHEMBL31390758

Cc1ccc2nc(NCC(=O)NCCCCC(=O)NO)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 5/20 0.55
▸ MITF O75030 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ ACP1 P24666 1/20 0.52
▸ MAPT P10636 5/20 0.49
▸ KLF5 Q13887 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ DYRK1A Q13627 1/20 0.49
▸ PTPN1 P18031 1/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ LMNA P02545 5/20 0.47
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC2 Q92769 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL31390750 0.88 RAB9A (0.49) RAB9ANPC1MAPTTP53DYRK1A
SCHEMBL31390756 0.87 CA12 (0.58) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL31390759 0.84 HDAC6 (0.66) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL31390754 0.84 HDAC6 (0.66) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL31390751 0.81 DYRK1A (0.48) DYRK1AHDAC6HDAC1HDAC2HDAC3
SCHEMBL27839973 0.76 DYRK1A (0.63) RAB9ANPC1MITFPOLBAPEX1
SCHEMBL30526520 0.76 CA12 (0.58) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL19844566 0.76 RAB9A (0.70) RAB9ANPC1MITFPOLBAPEX1
SCHEMBL30526528 0.75 CA12 (0.57) RAB9ANPC1POLBMAPTSMN1; SMN2
SCHEMBL30526519 0.75 CA12 (0.57) RAB9ANPC1POLBMAPTSMN1; SMN2

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-119504644-A Benzothiazole coupled hydroxamic acid compound, and preparation method and application thereof 暨南大学 2025-02-25 — — CN disclosed
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