SCHEMBL429176

SCHEMBL429176

COc1ccc(CCOc2nc(NN=Cc3cccc(C)c3)cc([N+](C)C)n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.47
FER P16591 1/20 0.47
TYK2 P29597 1/20 0.47
FRK P42685 1/20 0.47
SYK P43405 1/20 0.47
CAMK1D Q8IU85 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
PIKFYVE Q9Y2I7 1/20 0.47
MAPT P10636 10/20 0.42
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
GAA P10253 6/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL429177 0.86 FES (0.47) FESFERTYK2FRKSYK
SCHEMBL429175 0.86 FES (0.47) FESFERTYK2FRKSYK
SCHEMBL1603126 0.86 FES (0.47) FESFERTYK2FRKSYK
SCHEMBL425563 0.81 MAPT (0.45) FESFERTYK2FRKSYK
SCHEMBL425564 0.81 MAPT (0.45) FESFERTYK2FRKSYK
SCHEMBL14530459 0.79 FES (0.42) FESFERTYK2FRKSYK
SCHEMBL429464 0.79 MAPT (0.43) FESFERTYK2FRKSYK
SCHEMBL429463 0.79 MAPT (0.43) FESFERTYK2FRKSYK
SCHEMBL13759371 0.77 MAPT (0.43) FESFERTYK2FRKSYK
SCHEMBL430738 0.77 PIKFYVE (0.60) FESFERTYK2FRKSYK

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