SCHEMBL6031395

SCHEMBL6031395

CC(C)(F)c1ccc2[nH]c(Cl)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPBWR1 P48145 4/20 0.33
KIF11 P52732 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
AR P10275 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
METAP2 P50579 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1128905 0.87 GAA (0.50) MAPTGAAHSD17B10NPBWR1KCNH2
SCHEMBL666767 0.86 NPBWR1 (0.43) NPBWR1KIF11KCNH2METAP2KDM4E
SCHEMBL5015652 0.86 SCN10A (0.45) KIF11HDAC6KCNH2SCN10AMETAP2
SCHEMBL9303902 0.80 SHBG (0.39) MAPTGAANPC1RAB9AAR
SCHEMBL1747974 0.73 KDM4E (0.42) MAPTHSD17B10NPC1RAB9AMETAP2
SCHEMBL3490546 0.73 KMT2A (0.44) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1311258 0.72 NPBWR1 (0.58) NPBWR1KCNH2SCN10A
SCHEMBL2418844 0.72 SCN10A (0.61) KCNH2SCN10AMETAP2TRPV1
SCHEMBL1192946 0.72 F7 (0.47) MAPTHSD17B10NPC1RAB9AMEN1
SCHEMBL1193332 0.72 RUNX1 (0.43) MAPTGAAHSD17B10KIF11NPC1

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-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed