SCHEMBL30460191

SCHEMBL30460191

CN1CCN(c2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4F)nn3)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.39

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
SCHEMBL30460192 1.00 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL24216776 1.00 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL25351673 0.92 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL25431236 0.92 HDAC1 (0.48) HDAC1HDAC6
SCHEMBL24215805 0.90 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL30460229 0.90 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL24215809 0.89 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL30460217 0.89 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL25432362 0.88 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL24215807 0.88 HDAC1 (0.42) HDAC1HDAC6

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
Send feedback