SCHEMBL30460208

SCHEMBL30460208

Fc1cc(-c2nnc(C(F)F)o2)ccc1Cn1cc(-c2cccc(N3CCNCC3)n2)nn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.39
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL24216990 1.00 HDAC1 (0.49) HDAC1HDAC6PIM1PIM3PIM2
SCHEMBL30409969 0.89 HDAC1 (0.51) HDAC1HDAC6
SCHEMBL25351112 0.89 HDAC1 (0.50) HDAC1HDAC6
SCHEMBL24216986 0.89 HDAC1 (0.51) HDAC1HDAC6
SCHEMBL24215805 0.87 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL30460229 0.87 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL25350501 0.87 HDAC1 (0.52) HDAC1HDAC6PIM1
SCHEMBL25350160 0.87 HDAC1 (0.43) HDAC1HDAC6
SCHEMBL24215926 0.86 HDAC1 (0.49) HDAC1HDAC6PIM1
SCHEMBL30407953 0.86 HDAC1 (0.49) HDAC1HDAC6PIM1

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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