SCHEMBL25942151

SCHEMBL25942151

CCOC(=O)c1c(CNC)n(C)c2ccncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.52
ELANE P08246 2/20 0.47
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
ALOX5 P09917 9/20 0.42
KDM4E B2RXH2 2/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
MAPKAPK2 P49137 1/20 0.42
GSK3B P49841 1/20 0.42
RPS6KA3 P51812 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRP O00591 1/20 0.39

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
SCHEMBL25948777 0.91 RAD52 (0.52) RAD52ELANEKDM5AKDM5BALOX5
SCHEMBL25938717 0.85 RAD52 (0.48) RAD52ELANEKDM5AKDM5BALOX5
SCHEMBL25942159 0.85 ELANE (0.49) RAD52ELANEKDM5AKDM5BALOX5
SCHEMBL25948641 0.83 KDM4E (0.57) RAD52ELANEALOX5KDM4EMEN1
SCHEMBL25942157 0.80 ELANE (0.44) RAD52ELANEKDM5AKDM5BALOX5
SCHEMBL13954024 0.79 RAD52 (0.55) RAD52ALOX5KDM4EMEN1KMT2A
SCHEMBL25948664 0.79 RAD52 (0.50) RAD52ALOX5MEN1KMT2AALDH1A1
SCHEMBL25942228 0.77 RAD52 (0.48) RAD52ELANEKDM5AKDM5BALOX5
SCHEMBL25948631 0.76 RAD52 (0.52) RAD52ALOX5MEN1KMT2AALDH1A1
SCHEMBL25948711 0.76 RAD52 (0.42) RAD52ALOX5KDM4EMEN1KMT2A

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
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed