SCHEMBL9540477

SCHEMBL9540477

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 5/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
ALOX5 P09917 1/20 0.33
BRAF P15056 1/20 0.32
MGMT P16455 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PDPK1 O15530 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
SCHEMBL9542969 0.90 KDM4E (0.40) KDM4EHSD17B10GAAHPGDRAB9A
SCHEMBL9540456 0.90 ALOX5 (0.36) KDM4EHSD17B10GAAHPGDRAB9A
SCHEMBL9540494 0.89 KDM4E (0.38) KDM4EHSD17B10GAAHPGDRAB9A
SCHEMBL9540433 0.87 LMNA (0.43) KDM4EHPGDRAB9ATSHRLMNA
SCHEMBL9539346 0.85 MEN1 (0.32) HPGDRAB9AKMT2AMEN1MGMT
SCHEMBL9539338 0.81 CDC7 (0.40) HSD17B10TSHRLMNAKMT2AMEN1
SCHEMBL9542989 0.81 ELANE (0.34)
SCHEMBL9540186 0.77 LMNA (0.46) KDM4EHPGDRAB9ATSHRLMNA
SCHEMBL9543012 0.77 LMNA (0.43) KDM4EHPGDRAB9ATSHRLMNA
SCHEMBL370253 0.75 KDM4E (0.45) KDM4EHSD17B10GAAHPGDRAB9A

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