SCHEMBL17844225

SCHEMBL17844225

CC(C)n1sc(-c2ccccc2)c(N[C@H]2CC[C@H](O)CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
PDE4B Q07343 4/20 0.37
PDE7A Q13946 4/20 0.37
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
BRD4 O60885 3/20 0.35
MAPK7 Q13164 2/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA2B P29275 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
FYN P06241 2/20 0.34
RORC P51449 1/20 0.34
HSP90AA1 P07900 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL17844241 1.00 MAPK10 (0.42) MAPK10MAPK8MAPK9PDE4BPDE7A
SCHEMBL17844147 0.85 GBA1 (0.35) MAPK8PDE4BPDE7ABRD4MEN1
SCHEMBL17844251 0.77 FAAH (0.39) PDE4BPDE7AADORA2BMEN1MAPT
SCHEMBL17844156 0.77 ADORA2B (0.36) MAPK8PDE4BPDE7AADORA2BFYN
SCHEMBL1997878 0.70 MAPK8 (0.42) MAPK10MAPK8MAPK9PDE4BPDE7A
SCHEMBL1999233 0.70 MAPK8 (0.42) MAPK10MAPK8MAPK9PDE4BPDE7A
SCHEMBL1997879 0.70 MAPK8 (0.42) MAPK10MAPK8MAPK9PDE4BPDE7A
SCHEMBL17844153 0.68 MAPK8 (0.41) MAPK10MAPK8MAPK9MEN1MAPT
SCHEMBL17844164 0.67 KAT2B (0.38) MAPK9MAPK7MAPK1
SCHEMBL17844146 0.67 HTR1B (0.39) MAPTL3MBTL1

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed