SCHEMBL30460266

SCHEMBL30460266

CN1CCN(c2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.47
▸ HDAC1 Q13547 8/20 0.47
▸ WNT1 P04628 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38

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
SCHEMBL24215801 1.00 HDAC6 (0.47) HDAC6HDAC1WNT1GSK3BDYRK1A
SCHEMBL25351753 0.92 HDAC1 (0.46) HDAC6HDAC1WNT1GSK3BDYRK1A
SCHEMBL25352190 0.92 HDAC6 (0.46) HDAC6HDAC1
SCHEMBL25351682 0.90 HDAC6 (0.45) HDAC6HDAC1
SCHEMBL25352025 0.88 HDAC1 (0.50) HDAC6HDAC1
SCHEMBL25351869 0.88 HDAC6 (0.52) HDAC6HDAC1
SCHEMBL24216153 0.87 HDAC6 (0.53) HDAC6HDAC1
SCHEMBL24216776 0.86 HDAC1 (0.47) HDAC6HDAC1
SCHEMBL30460191 0.86 HDAC1 (0.47) HDAC6HDAC1
SCHEMBL30460192 0.86 HDAC1 (0.47) HDAC6HDAC1

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
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 — — EP disclosed
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