SCHEMBL22305679

SCHEMBL22305679

Cc1ccn(CC(=O)N(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.44
THRB P10828 1/20 0.40
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRIN2B Q13224 1/20 0.36

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
SCHEMBL10049906 0.83 GAA (0.48) GAANPSR1THRBAKR1C3AKR1C2
SCHEMBL14676881 0.81 NPSR1 (0.40) NPSR1CCNCCDK8SMN1; SMN2L3MBTL1
SCHEMBL10242686 0.79 GAA (0.54) GAATHRBAKR1C3AKR1C2AKR1C1
SCHEMBL604399 0.79 GAA (0.54) GAATHRBAKR1C3AKR1C2AKR1C1
SCHEMBL6876035 0.79 SMN1; SMN2 (0.46) NPSR1CCNCCDK8SMN1; SMN2NPC1
SCHEMBL24884200 0.78 NPSR1 (0.38) NPSR1CCNCCDK8SMN1; SMN2KDM4E
SCHEMBL12985068 0.78 GAA (0.53) GAATHRBAKR1C3AKR1C2AKR1C1
SCHEMBL2822660 0.77 GAA (0.49) GAATHRBATMSMN1; SMN2HSD17B10
SCHEMBL865863 0.77 KDM4C (0.40) NPSR1CCNCCDK8SMN1; SMN2NPC1
SCHEMBL20743181 0.76 NPSR1 (0.37) NPSR1CCNCCDK8SMN1; SMN2GRIN2B

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
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed