SCHEMBL7574156

SCHEMBL7574156

O=C(Nc1ccc(Oc2ccc3c(c2)C(=O)NC3=O)cc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
GSK3B P49841 1/20 0.55
HPGD P15428 3/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.52
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
GSK3A P49840 1/20 0.51
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
RAB9A P51151 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL178167 0.79 RAF1 (0.64) MEN1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL8103149 0.76 MEN1 (0.67) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL30949321 0.76 MEN1 (0.59) MEN1KMT2AGSK3BHPGDTSHR
SCHEMBL7574161 0.75 GSK3B (0.59) MEN1KMT2AGSK3BHPGDTSHR
SCHEMBL30949348 0.75 GSK3B (0.67) MEN1KMT2AGSK3BHPGDTSHR
SCHEMBL12719565 0.74 MEN1 (0.54) MEN1KMT2AGSK3BHPGDTSHR
SCHEMBL16628070 0.73 RAF1 (0.73) MEN1KMT2AGSK3BMAOAKDR
SCHEMBL1506401 0.73 MEN1 (0.56) MEN1KMT2AHPGDTSHRSMN1; SMN2
SCHEMBL30949334 0.73 MAPT (0.83) MEN1KMT2AGSK3BHPGDTSHR
SCHEMBL7759976 0.73 MEN1 (0.68) MEN1KMT2ATSHRSMN1; SMN2POLB

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
WO-2002062763-A2 INHIBITION OF RAF KINASE USING QUINOLYL ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-08-15 WO disclosed