SCHEMBL4950987

SCHEMBL4950987

NC(=O)C1CC(c2ccc([AsH]c3ccncc3)cc2F)=NO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.41
HDAC6 Q9UBN7 1/20 0.39
APAF1 O14727 1/20 0.37
GRK2 P25098 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4950993 0.81 HDAC6 (0.41) POLBMAPTHDAC6MIFITGB3
SCHEMBL3984476 0.81 POLB (0.45) POLBMAPTHDAC6APAF1GRK2
SCHEMBL2674041 0.72 POLB (0.53) POLBAPAF1GRK2APOBEC3GPDE4A
SCHEMBL3986282 0.70 MAPT (0.43) POLBMAPTHDAC6PDE4APDE4B
SCHEMBL3986317 0.70 POLB (0.54) POLBAPAF1GRK2APOBEC3GPDE4A
SCHEMBL3985968 0.69 HDAC6 (0.46) POLBMAPTHDAC6PDE4APDE4B
SCHEMBL3984077 0.68 CA1 (0.50) PDE4APDE4BPDE4CPDE4DATM
SCHEMBL3985973 0.67 POLB (0.39) POLBMAPTHDAC6APAF1GRK2
SCHEMBL24831446 0.66 POLB (0.55) POLBMAPTAPAF1GRK2APOBEC3G
SCHEMBL3986367 0.65 MIF (0.48) POLBMAPTAPAF1GRK2APOBEC3G

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
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed