SCHEMBL30460229

SCHEMBL30460229

Fc1cc(-c2nnc(C(F)F)o2)ccc1Cn1cc(-c2ccnc(N3CCNCC3)c2)nn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.47
▸ ATR Q13535 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.41
▸ DYRK1A Q13627 1/20 0.38
▸ NMT1 P30419 1/20 0.37

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
SCHEMBL24215805 1.00 HDAC1 (0.47) HDAC1ATRHDAC6DYRK1ANMT1
SCHEMBL30460192 0.90 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL30460191 0.90 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL24216776 0.90 HDAC1 (0.47) HDAC1HDAC6
SCHEMBL25351673 0.89 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL25431236 0.89 HDAC1 (0.48) HDAC1HDAC6DYRK1A
SCHEMBL25351791 0.88 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL25351919 0.87 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL24216990 0.87 HDAC1 (0.49) HDAC1HDAC6
SCHEMBL30460208 0.87 HDAC1 (0.49) 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
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