SCHEMBL30460216

SCHEMBL30460216

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4F)nn3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.43
▸ KDM1A O60341 4/20 0.43
▸ KDM1B Q8NB78 1/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ P2RY14 Q15391 1/20 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
SCHEMBL25348693 1.00 HDAC1 (0.43) HDAC1KDM1AKDM1BPDE4DHDAC6
SCHEMBL25351306 0.91 HDAC1 (0.43) HDAC1KDM1AKDM1BHDAC6
SCHEMBL30460242 0.91 HDAC1 (0.43) HDAC1KDM1AKDM1BHDAC6
SCHEMBL25349445 0.91 HDAC1 (0.43) HDAC1KDM1AKDM1BHDAC6
SCHEMBL25351263 0.90 HDAC1 (0.41) HDAC1KDM1AKDM1BHDAC6
SCHEMBL30460439 0.90 HDAC1 (0.41) HDAC1KDM1AKDM1BHDAC6
SCHEMBL25350903 0.90 HDAC1 (0.41) HDAC1KDM1AKDM1BHDAC6
SCHEMBL30460238 0.90 HDAC6 (0.46) KDM1AKDM1BPDE4DHDAC6ADORA2A
SCHEMBL25351277 0.90 HDAC6 (0.46) KDM1AKDM1BPDE4DHDAC6ADORA2A
SCHEMBL25349968 0.90 HDAC1 (0.43) HDAC1KDM1AKDM1BHDAC6

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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