SCHEMBL5268461

SCHEMBL5268461

Cc1ccc(S(=O)(=O)Nc2c[nH]nc2C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 6/20 0.50
GSK3B P49841 1/20 0.49
POLB P06746 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM1A O60341 1/20 0.48
TP53 P04637 3/20 0.47
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
SCHEMBL5269177 0.92 RAB9A (0.56) RAB9ANPC1GAAKDM4EHSD17B10
SCHEMBL5272812 0.91 RAB9A (0.56) RAB9ANPC1GAAKDM4EHSD17B10
SCHEMBL5265198 0.91 RAB9A (0.55) RAB9ANPC1GAAKDM4EHSD17B10
SCHEMBL5269482 0.90 POLB (0.54) RAB9ANPC1GAAMAPTPOLB
SCHEMBL5267731 0.90 RAB9A (0.54) RAB9ANPC1MAPTPOLBTDP1
SCHEMBL5266973 0.90 RAB9A (0.54) RAB9ANPC1MAPTPOLBTDP1
SCHEMBL5267412 0.90 RAB9A (0.54) RAB9ANPC1GAAMAPTMEN1
SCHEMBL5270827 0.89 KMT2A (0.58) GAAKDM4EHSD17B10MAPTPOLB
SCHEMBL5268726 0.88 KMT2A (0.57) RAB9ANPC1GAAPOLBTDP1
SCHEMBL5267718 0.87 RAB9A (0.52) RAB9ANPC1GAAKDM4EHSD17B10

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
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed