SCHEMBL30460213

SCHEMBL30460213

CC(C)(C)OC(=O)N1CCN(c2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.46
▸ KDM1A O60341 10/20 0.45
▸ KDM1B Q8NB78 2/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ HDAC1 Q13547 2/20 0.39
▸ P2RY14 Q15391 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
SCHEMBL25351332 1.00 HDAC6 (0.46) HDAC6KDM1AKDM1BTUBB4ATUBB
SCHEMBL25349445 0.91 HDAC1 (0.43) HDAC6KDM1AKDM1BHDAC1
SCHEMBL30460242 0.91 HDAC1 (0.43) HDAC6KDM1AKDM1BHDAC1
SCHEMBL25347853 0.89 HDAC6 (0.43) HDAC6KDM1AKDM1BTUBB4ATUBB
SCHEMBL30460238 0.89 HDAC6 (0.46) HDAC6KDM1AKDM1BTUBB4ATUBB
SCHEMBL25351277 0.89 HDAC6 (0.46) HDAC6KDM1AKDM1BTUBB4ATUBB
SCHEMBL30460314 0.87 HDAC6 (0.44) HDAC6KDM1AKDM1BTUBB4ATUBB
SCHEMBL25349877 0.87 HDAC6 (0.44) HDAC6KDM1AKDM1BTUBB4ATUBB
SCHEMBL25351306 0.86 HDAC1 (0.43) HDAC6KDM1AKDM1BHDAC1
SCHEMBL24216706 0.85 HDAC6 (0.51) 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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