SCHEMBL5068880

SCHEMBL5068880

O=Cc1ccc(-c2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.59
TEK Q02763 2/20 0.58
DGAT1 O75907 1/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
NPC1 O15118 4/20 0.57
MAPT P10636 2/20 0.57
LCK P06239 2/20 0.56
AURKA O14965 1/20 0.56
MAP4K4 O95819 1/20 0.56
MET P08581 1/20 0.56
PDGFRB P09619 1/20 0.56
PIM1 P11309 1/20 0.56
PDGFRA P16234 1/20 0.56
CDK8 P49336 1/20 0.56
PRKX P51817 1/20 0.56
CDK5 Q00535 1/20 0.56
ROCK1 Q13464 1/20 0.56
AURKB Q96GD4 1/20 0.56

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
SCHEMBL2264595 0.85 RAB9A (0.62) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL27193042 0.81 RAB9A (0.79) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL30851500 0.81 RAB9A (0.79) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL2267263 0.81 CA12 (0.57) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL4555389 0.80 KMT2A (0.72) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL24272323 0.79 MTOR (0.69) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL2817252 0.78 SMN1; SMN2 (0.68) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL4113845 0.77 RAB9A (0.68) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL12218440 0.77 RAB9A (0.79) MTORRAB9AMEN1KMT2ANPC1
SCHEMBL4454606 0.77 RAB9A (0.68) MTORRAB9AMEN1KMT2ANPC1

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-1874317-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2008-01-09 EP claimed
WO-2006113919-A2 ARYL ALKYL ACID DERIVATIVES FOR AND USE THEREOF BAYER PHARMACEUTICALS CORPORATION (US) 2006-10-26 WO claimed