SCHEMBL20096006

SCHEMBL20096006

CN(C[C@H](O)C1CC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CD O00329 1/20 0.37
FDPS P14324 1/20 0.34

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
SCHEMBL20095865 1.00 KMT2A (0.43) KMT2AMEN1TP53HRH4HRH3
SCHEMBL20095863 1.00 KMT2A (0.43) KMT2AMEN1TP53HRH4HRH3
SCHEMBL19227260 0.81 KMT2A (0.54) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL19227247 0.81 KMT2A (0.54) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL19227269 0.81 KMT2A (0.54) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL14876763 0.79 KMT2A (0.45) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL16822343 0.79 KMT2A (0.45) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL11068078 0.79 KMT2A (0.45) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL17743412 0.79 KMT2A (0.45) KMT2AMEN1HRH4HRH3MAPT
SCHEMBL19159040 0.79 KMT2A (0.51) KMT2AMEN1HRH4HRH3MAPT

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-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed