SCHEMBL4777374

SCHEMBL4777374

CC(C)c1cccc(S(=O)(=O)Nc2cc3c(cc2-c2ncco2)OCO3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.43
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGR P06401 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EGFR P00533 1/20 0.35
TNNI3K Q59H18 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL4840971 0.87 ALDH1A1 (0.47) GLO1ALDH1A1LMNAHTTPOLB
SCHEMBL4777634 0.85 SLC40A1 (0.47) GLO1HPGDCYP2C9CYP2C19PGR
SCHEMBL4780514 0.84 GLO1 (0.41) GLO1ALDH1A1LMNAHTTPOLB
SCHEMBL4781821 0.82 SLC40A1 (0.49) GLO1LMNAMAPTNPSR1MEN1
SCHEMBL4780017 0.82 KAT6A (0.39) ALDH1A1HTTHSD17B10PGREGFR
SCHEMBL4779121 0.80 KEAP1 (0.45) GLO1ALDH1A1LMNAHTTPOLB
SCHEMBL4727568 0.77 GFER (0.43) GLO1ALDH1A1LMNAPOLBHPGD
SCHEMBL4775751 0.69 SLC40A1 (0.44) GLO1HPGDCYP2C9CYP2C19MAPT
SCHEMBL14084356 0.68 BRD4 (0.35) ALDH1A1POLBHPGDCYP2C9CYP2C19
SCHEMBL4781338 0.68 SLC40A1 (0.48) ALDH1A1LMNAHTTHPGDMAPT

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-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed