SCHEMBL22588872

SCHEMBL22588872

NC(=O)CC(c1nnco1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.39
CPB2 Q96IY4 2/20 0.39
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
IRAK4 Q9NWZ3 6/20 0.31
CHEK1 O14757 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL6508980 0.76 KMT2A (0.48) CPN1CPB2KMT2ASMN1; SMN2CHEK1
SCHEMBL22588871 0.63 KDM4E (0.34) KMT2AKDM4EMAPTATMCYP2D6
SCHEMBL16475935 0.61 CPN1 (0.47) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL25662162 0.60 CPN1 (0.57) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL25662154 0.60 CPN1 (0.57) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL2262751 0.60 CPN1 (0.57) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL2262755 0.60 CPN1 (0.57) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL1527404 0.60 CPN1 (0.57) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL25660410 0.60 CPN1 (0.57) CPN1CPB2KMT2AKDM4EMAPT
SCHEMBL22588874 0.60 RPLP1 (0.35)

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-2020216766-A1 MODULATORS OF THE INTEGRATED STRESS RESPONSE PATHWAY EVOTEC INTERNATIONAL GMBH (DE) 2020-10-29 WO disclosed