SCHEMBL9542969

SCHEMBL9542969

CCOC(=O)Oc1nnc(OC(=O)OCC)c2[nH]cnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
TP53 P04637 5/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MGMT P16455 2/20 0.34
LMNA P02545 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL9540477 0.90 KDM4E (0.38) KDM4ETP53HSD17B10HPGDRAB9A
SCHEMBL9540494 0.90 KDM4E (0.38) KDM4ETP53HSD17B10HPGDRAB9A
SCHEMBL9540186 0.86 LMNA (0.46) KDM4EHPGDRAB9ATSHRMAPT
SCHEMBL9542967 0.83 CSNK2A2 (0.34) KDM4ETP53RAB9ATSHRSMN1; SMN2
SCHEMBL9540192 0.81 CDK1 (0.38) KDM4ETP53HSD17B10HPGDRAB9A
SCHEMBL9540456 0.80 ALOX5 (0.36) KDM4ETP53HSD17B10HPGDRAB9A
SCHEMBL370253 0.78 KDM4E (0.45) KDM4ETP53HSD17B10HPGDRAB9A
SCHEMBL9540433 0.78 LMNA (0.43) KDM4EHPGDRAB9ATSHRMAPT
SCHEMBL9543012 0.78 LMNA (0.43) KDM4EHPGDRAB9ATSHRSMN1; SMN2
SCHEMBL5243244 0.76 KDM4E (0.44) KDM4ETP53HSD17B10HPGDRAB9A

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