SCHEMBL4756470

SCHEMBL4756470

Cc1cccc2n[c]nc(C#N)c12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.36
TSHR P16473 1/20 0.34
ELANE P08246 6/20 0.33
PARP1 P09874 2/20 0.33
PDE10A Q9Y233 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL23295733 0.77 ELANE (0.39) ELANEPARP1CYP1A2ACHE
SCHEMBL4754611 0.71 TSHR (0.33) TSHRELANEPARP1PDE10ACYP1A2
SCHEMBL6180444 0.71 ALDH1A1 (0.44) USP8TSHRELANE
SCHEMBL4755945 0.70 ELANE (0.35) ELANEPARP1
SCHEMBL4757324 0.68 ELANE (0.33) ELANEPARP1ACHE
SCHEMBL3673625 0.63 MAPK1 (0.47) USP8TSHRCYP1A2
SCHEMBL30201734 0.63 MAPK1 (0.47) USP8TSHRCYP1A2
SCHEMBL21609975 0.62 TSHR (0.38) USP8TSHRELANEPDE10ACYP1A2
SCHEMBL27359621 0.62 PDE10A (0.37) TSHRELANEPARP1PDE10ACYP1A2
SCHEMBL11627568 0.61 ELANE (0.45) TSHRELANEPARP1CYP1A2ACHE

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
WO-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed