SCHEMBL31095199

SCHEMBL31095199

C1=Cc2cnccc2Nc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ KDM3A Q9Y4C1 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ ACHE P22303 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GABRP O00591 1/20 0.30
▸ GABRD O14764 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ CHUK O15111 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL31095194 0.89 MAPT (0.64) GAAMAPTIDO1L3MBTL1ACHE
SCHEMBL16187249 0.85 GAA (0.34) GAAMAPTIDO1L3MBTL1
SCHEMBL30285228 0.76 MAPT (0.64) GAAMAPTIDO1L3MBTL1ACHE
SCHEMBL15985216 0.76 MAPT (0.64) GAAMAPTIDO1L3MBTL1ACHE
SCHEMBL445873 0.73 GAA (0.32) GAAMAPTIDO1L3MBTL1
SCHEMBL1939592 0.73 GAA (0.32) GAAMAPTIDO1L3MBTL1CHRNB2
SCHEMBL29787065 0.73 GAA (0.32) GAAMAPTIDO1L3MBTL1CHRNB2
SCHEMBL10585694 0.73 — —
SCHEMBL20663619 0.71 GAA (0.31) GAAMAPTIDO1L3MBTL1
SCHEMBL31050976 0.70 MAPT (0.59) GAAMAPTIDO1L3MBTL1ACHE

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
EP-4680602-A1 HETEROCYCLIC COMPOUNDS AS SELECTIVE HDAC6 INHIBITORS Miralinc Pharma, Inc. (US) 2026-01-21 — — EP disclosed
WO-2024192237-A1 HETEROCYCLIC COMPOUNDS AS SELECTIVE HDAC6 INHIBITORS MIRALINC PHARMA, INC. (US) 2024-09-19 — — WO disclosed
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