SCHEMBL4444932

SCHEMBL4444932

CCc1ccccc1-c1ccc(C(N)=O)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDK2 Q15119 2/20 0.44
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
PARP1 P09874 3/20 0.42
SLC9A1 P19634 1/20 0.41
HTR7 P34969 2/20 0.41
HTR2B P41595 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4530801 0.85 MKNK1 (0.46) L3MBTL1MEN1KMT2APARP1POLB
SCHEMBL4530811 0.81 MKNK1 (0.53) L3MBTL1KMT2AFGFR1FGFR2FGFR4
SCHEMBL4439627 0.80 BAZ2B (0.52) BAZ2BBAZ2APDK2PARP1PLA2G2A
SCHEMBL13575532 0.78 MAPK1 (0.45) KMT2APARP1POLBMAPTHSD17B10
SCHEMBL5006032 0.78 MAPK1 (0.45) KMT2APARP1TSHRHSD17B10MAPK1
SCHEMBL14235937 0.77 PARP1 (0.50) KMT2APARP1TSHRHSD17B10MAPK1
SCHEMBL27607184 0.77 SMN1; SMN2 (0.44) CSNK2A2CSNK2BCSNK2A1CSNK2A3L3MBTL1
SCHEMBL528444 0.77 BCAT2 (0.55) CSNK2A2CSNK2BCSNK2A1CSNK2A3MEN1
SCHEMBL7114095 0.75 L3MBTL1 (0.59) L3MBTL1MEN1KMT2APDK2PARP1
SCHEMBL27915078 0.74 CHEK2 (0.49) MEN1KMT2APARP1PLA2G10PLA2G2A

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-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed