SCHEMBL3798748

SCHEMBL3798748

CNC(=O)Cc1ccno1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
CCNE1 P24864 17/20 0.37
CDK2 P24941 17/20 0.37
GSK3B P49841 12/20 0.37
VHL P40337 1/20 0.35

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
SCHEMBL2825318 0.81 CYP1A2 (0.45) CCNE1CDK2GSK3B
SCHEMBL2822798 0.78 CYP4F2 (0.41) CCNE1CDK2GSK3B
SCHEMBL1650609 0.76
SCHEMBL2360121 0.75
SCHEMBL11102141 0.75
SCHEMBL13621200 0.72 ACE2 (0.44) CCNE1CDK2GSK3B
SCHEMBL7603557 0.72 MEN1 (0.33) CCNE1CDK2GSK3B
SCHEMBL22311397 0.72 CCNE1 (0.48) CCNE1CDK2GSK3B
SCHEMBL752460 0.71 SMN1; SMN2 (0.43)
SCHEMBL44691 0.70 HDAC4 (0.35) HDAC4VHL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 WO disclosed