Sugi Predict

Sugi Predict / Compounds / SCHEMBL30436631

SCHEMBL30436631

SCHEMBL30436631

CC(C)(C#N)Nc1cccc2c1CCN2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1CCc2c(N)cccc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 6/20 0.41
▸ NOTUM Q6P988 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ AR P10275 10/20 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
SCHEMBL25293336 0.94 UCHL1 (0.44) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL256728 0.85 UCHL1 (0.51) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL27438475 0.74 HDAC1 (0.47) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL1284259 0.72 UCHL1 (0.67) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL31014046 0.72 UCHL1 (0.52) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL29535019 0.72 UCHL1 (0.67) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL23063791 0.72 NOTUM (0.64) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL3902861 0.72 UCHL1 (0.52) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL21598440 0.72 UCHL1 (0.44) UCHL1NOTUMKDM1AHDAC1HDAC6
SCHEMBL256735 0.71 UCHL1 (0.43) UCHL1NOTUMKDM1AHDAC1HDAC6

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-4208461-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-07-12 — — EP disclosed