SCHEMBL8329144

SCHEMBL8329144

Fc1ccc[c]c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
NOTUM Q6P988 2/20 0.40
IL2 P60568 1/20 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
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
HTR2C P28335 2/20 0.38
CTSS P25774 1/20 0.38
KDM1A O60341 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ADAM17 P78536 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL8323540 0.83 NOTUM (0.40) MAOBNOTUMIDO1TSHRMAPK1
SCHEMBL9539339 0.82 RORB (0.46) MAOBNOTUMIDO1TSHRMAPK1
SCHEMBL15949380 0.82 IKBKB (0.41) MAOBNOTUMIDO1TSHRMAPK1
SCHEMBL16719324 0.82 CNR2 (0.43) MAOBNOTUMIDO1TSHRMAPK1
SCHEMBL11031993 0.82 NOTUM (0.39) MAOBNOTUMIDO1TSHRMAPK1
SCHEMBL9648992 0.79 AKR1C3 (0.41) MAOBNOTUMIDO1AKR1C3AKR1C2
SCHEMBL10494072 0.79 TAAR1 (0.41) NOTUMIDO1TAAR1
SCHEMBL9815443 0.78 KDM4E (0.49) MAOBNOTUMIDO1TSHRMAPK1
SCHEMBL8322022 0.78 CYP1A2 (0.42) NOTUMIDO1AKR1C3AKR1C2HTR2C
SCHEMBL13858635 0.78 NPSR1 (0.45) AKR1C3AKR1C2

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