SCHEMBL9542967

SCHEMBL9542967

COC(=O)Oc1nnc(OC(=O)OC)c2[nH]cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.34
CSNK2A1 P68400 2/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
CSNK2B P67870 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
PDPK1 O15530 2/20 0.33
GDA Q9Y2T3 1/20 0.33
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MGMT P16455 2/20 0.32
ABL1 P00519 1/20 0.32
RAD52 P43351 1/20 0.32
RIN1 Q13671 1/20 0.32
BRD4 O60885 4/20 0.32
TSHR P16473 2/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL9541784 0.89 MEN1 (0.32) CSNK2A2CSNK2A1MEN1RAB9ACSNK2B
SCHEMBL9539346 0.89 MEN1 (0.32) CSNK2A2CSNK2A1MEN1RAB9ACSNK2B
SCHEMBL9542969 0.83 KDM4E (0.40) RAB9AKMT2APDPK1TP53KDM4E
SCHEMBL9540192 0.82 CDK1 (0.38) RAB9ATP53KDM4EMGMTTSHR
SCHEMBL9540186 0.79 LMNA (0.46) RAB9AKDM4ETSHRSMN1; SMN2
SCHEMBL9539357 0.77 KDM4E (0.34) KDM4E
SCHEMBL9540355 0.77 KDM4E (0.32) TP53KDM4E
SCHEMBL4760779 0.74 KDM4E (0.33) MEN1KMT2APDPK1GDAKDM4E
SCHEMBL9540494 0.74 KDM4E (0.38) RAB9AKMT2APDPK1TP53KDM4E
SCHEMBL9540477 0.74 KDM4E (0.38) MEN1RAB9AKMT2APDPK1TP53

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-1993003033-A1 CARBONATE-SUBSTITUTED IMIDAZO[4,5-d] PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G. D. SEARLE & CO. (US) 1993-02-18 WO claimed