SCHEMBL4840971

SCHEMBL4840971

Cc1cccc(S(=O)(=O)Nc2cc3c(cc2-c2ncco2)OCO3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
LMNA P02545 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
SLC40A1 Q9NP59 1/20 0.47
GLO1 Q04760 1/20 0.45
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 3/20 0.42
GAA P10253 2/20 0.42
EDNRA P25101 2/20 0.41
EDNRB P24530 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4777634 0.88 SLC40A1 (0.47) HPGDSLC40A1GLO1EDNRAEDNRB
SCHEMBL4777374 0.87 GLO1 (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4781821 0.85 SLC40A1 (0.49) LMNAMEN1KMT2ASLC40A1GLO1
SCHEMBL4781338 0.81 SLC40A1 (0.48) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4727568 0.80 GFER (0.43) ALDH1A1LMNAMEN1KMT2AHPGD
SCHEMBL8660294 0.76 MCL1 (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4727559 0.74 SLC40A1 (0.51) LMNAMEN1KMT2ASLC40A1GAA
SCHEMBL30304828 0.74 SLC40A1 (0.51) LMNAMEN1KMT2ASLC40A1GAA
SCHEMBL4775751 0.71 SLC40A1 (0.44) HPGDSLC40A1GLO1MAPTEDNRA
SCHEMBL8660042 0.71 HPGD (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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 disclosed