SCHEMBL30460211

SCHEMBL30460211

CC(C)(C)OC(=O)N1CCN(c2cccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.47
▸ PDE4D Q08499 1/20 0.44
▸ ADORA2A P29274 1/20 0.40
▸ RET P07949 2/20 0.39
▸ KDM1A O60341 3/20 0.39
▸ P2RY14 Q15391 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 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
SCHEMBL25351650 1.00 HDAC6 (0.47) HDAC6PDE4DADORA2ARETKDM1A
SCHEMBL25351277 0.90 HDAC6 (0.46) HDAC6PDE4DADORA2AKDM1AP2RY14
SCHEMBL30460238 0.90 HDAC6 (0.46) HDAC6PDE4DADORA2AKDM1AP2RY14
SCHEMBL30409486 0.90 HDAC6 (0.48) HDAC6HDAC1
SCHEMBL25355054 0.90 HDAC6 (0.48) HDAC6HDAC1
SCHEMBL25348661 0.89 PDE4D (0.41) HDAC6PDE4DADORA2ARETKDM1A
SCHEMBL30460180 0.89 PDE4D (0.41) HDAC6PDE4DADORA2ARETKDM1A
SCHEMBL25351613 0.88 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL25350597 0.88 HDAC6 (0.44) HDAC6RETKDM1AHDAC1
SCHEMBL30460239 0.88 HDAC6 (0.44) HDAC6RETKDM1AHDAC1

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