SCHEMBL5822246

SCHEMBL5822246

O=C1Nc2ccccc2C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.66
MEN1 O00255 7/20 0.66
MAPT P10636 4/20 0.66
NPSR1 Q6W5P4 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
POLB P06746 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
SYK P43405 2/20 0.62
FCER2 P06734 1/20 0.62
DHFR P00374 3/20 0.62
GPR55 Q9Y2T6 1/20 0.59
USP2 O75604 1/20 0.57
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
PTK2B Q14289 1/20 0.54
NTRK1 P04629 1/20 0.54

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
SCHEMBL5822237 1.00 KMT2A (0.66) KMT2AMEN1MAPTNPSR1SMN1; SMN2
Acetamide SCHEMBL5822465 0.96 KMT2A (0.64) KMT2AMEN1MAPTNPSR1SMN1; SMN2
Acetamide SCHEMBL5822463 0.96 KMT2A (0.64) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822284 0.83 KMT2A (0.75) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822283 0.83 KMT2A (0.75) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL26434393 0.83 KMT2A (0.75) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5476060 0.79 KMT2A (0.77) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5476058 0.79 KMT2A (0.77) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822183 0.79 KMT2A (0.63) KMT2AMEN1MAPTNPSR1SMN1; SMN2
SCHEMBL5822198 0.79 KMT2A (0.63) KMT2AMEN1MAPTNPSR1SMN1; SMN2

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-2006105796-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO disclosed