SCHEMBL9540260

SCHEMBL9540260

CC(C)OC(=O)Oc1nnc(OC(=O)OC(C)C)c2[nH]cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
MEN1 O00255 1/20 0.32
CSNK2A2 P19784 1/20 0.32
RAB9A P51151 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
KMT2A Q03164 1/20 0.32
DYRK1A Q13627 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
PDPK1 O15530 1/20 0.30
CYP1A2 P05177 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
SCHEMBL9540355 0.90 KDM4E (0.32) KDM4EALDH1A1POLBHPGDTP53
SCHEMBL9539357 0.90 KDM4E (0.34) KDM4EALDH1A1POLBHPGDCDK1
SCHEMBL9542967 0.86 CSNK2A2 (0.34) KDM4ETP53MEN1CSNK2A2RAB9A
SCHEMBL9540192 0.86 CDK1 (0.38) KDM4EHPGDTP53CDK1CCNB1
SCHEMBL9539346 0.77 MEN1 (0.32) HPGDMEN1CSNK2A2RAB9ACSNK2B
SCHEMBL9541784 0.77 MEN1 (0.32) KDM4ETP53MEN1CSNK2A2RAB9A
SCHEMBL9540494 0.70 KDM4E (0.38) KDM4EALDH1A1HPGDTP53RAB9A
SCHEMBL9540477 0.70 KDM4E (0.38) KDM4EALDH1A1HPGDTP53MEN1
SCHEMBL9543012 0.67 LMNA (0.43) KDM4EALDH1A1HPGDCDK1CCNB1
SCHEMBL32675792 0.65 CDK2 (0.51) KDM4EALDH1A1CDK1CCNB1CCNA2

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-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
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 disclosed