SCHEMBL8323540

SCHEMBL8323540

FC(F)(F)c1cccc(-c2[c]cccc2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
IDO1 P14902 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN2A Q99250 2/20 0.39
MAOB P27338 1/20 0.39
HTR2C P28335 2/20 0.38
CTSS P25774 1/20 0.38
KDM1A O60341 1/20 0.38
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
GPX4 P36969 1/20 0.37
GSK3B P49841 1/20 0.37
PIM3 Q86V86 1/20 0.37
BRSK1 Q8TDC3 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
CNR2 P34972 1/20 0.37
KIF11 P52732 1/20 0.37
POLB P06746 1/20 0.37
RORB Q92753 1/20 0.36

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
SCHEMBL3021266 0.86 RXRA (0.35) TSHRCNR2KIF11
SCHEMBL8329144 0.83 MAOB (0.42) NOTUMIDO1TSHRMAPK1SCN2A
SCHEMBL2426847 0.83 CYP11B2 (0.43) NOTUMIDO1MAOB
SCHEMBL16719324 0.82 CNR2 (0.43) NOTUMIDO1TSHRMAPK1SCN2A
SCHEMBL15949380 0.82 IKBKB (0.41) NOTUMIDO1TSHRMAPK1SCN2A
SCHEMBL11031993 0.82 NOTUM (0.39) NOTUMIDO1TSHRMAPK1SCN2A
SCHEMBL9539339 0.82 RORB (0.46) NOTUMIDO1TSHRMAPK1SCN2A
SCHEMBL3829054 0.81 KIF11 (0.45) NOTUMTSHRSCN2AMAOBKIF11
SCHEMBL1369135 0.80 KIF11 (0.39) IDO1TSHRKIF11POLB
SCHEMBL11287914 0.80 NOTUM (0.43) NOTUMIDO1TSHRMAPK1SCN2A

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-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed