SCHEMBL9540944

SCHEMBL9540944

Oc1csc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
HSP90AA1 P07900 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
BRD4 O60885 1/20 0.44
L3MBTL1 Q9Y468 6/20 0.40
HTT P42858 2/20 0.40
IDO1 P14902 2/20 0.40
MPI P34949 1/20 0.40
HSP90AB1 P08238 1/20 0.40
PSMB5 P28074 1/20 0.40
SLC6A2 P23975 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 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
SCHEMBL2176528 0.77 AXL (0.42) KDM4EHSP90AA1LMNAMAPTL3MBTL1
SCHEMBL30489898 0.77 AXL (0.42) KDM4EHSP90AA1LMNAMAPTL3MBTL1
SCHEMBL12334 0.75 NPC1 (0.43) KDM4EHSP90AA1LMNAMAPTL3MBTL1
SCHEMBL2713045 0.75 HSP90AA1 (0.42) KDM4EHSP90AA1LMNAMAPTHTT
SCHEMBL30338424 0.75 HSP90AA1 (0.42) KDM4EHSP90AA1LMNAMAPTHTT
SCHEMBL31252939 0.75 KDM4E (0.40) KDM4EHSP90AA1LMNAMAPTMETAP2
SCHEMBL3971484 0.75 KDM4E (0.40) KDM4EHSP90AA1LMNAMAPTMETAP2
SCHEMBL5279895 0.75 KDM4E (0.38) KDM4EHSP90AA1LMNAMAPTL3MBTL1
SCHEMBL22270961 0.75 KDM4E (0.39) KDM4EHSP90AA1LMNAMAPTMETAP2
SCHEMBL9754157 0.73 KDM4E (0.48) KDM4ELMNAMAPTL3MBTL1RAB9A

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-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO claimed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 WO disclosed