SCHEMBL426308

SCHEMBL426308

CCC/N=C(\NC)NCCOc1cc(N2CCOCC2)cc(N/N=C/c2cccc(C)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
PIKFYVE Q9Y2I7 8/20 0.48
FES P07332 1/20 0.48
FER P16591 1/20 0.48
TYK2 P29597 1/20 0.48
FRK P42685 1/20 0.48
SYK P43405 1/20 0.48
CAMK1D Q8IU85 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 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
SCHEMBL426309 1.00 MAPT (0.49) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL429005 0.92 MAPT (0.48) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL429006 0.92 MAPT (0.48) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL425398 0.91 MAPT (0.49) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL424178 0.90 PIKFYVE (0.45) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL424177 0.90 PIKFYVE (0.45) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL4404371 0.89 MAPT (0.51) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL425396 0.87 MAPT (0.51) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL425397 0.87 MAPT (0.51) MAPTKDM4ELMNAHPGDPIKFYVE
SCHEMBL429007 0.86 KDM4E (0.51) MAPTKDM4ELMNAHPGDPIKFYVE

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
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed