SCHEMBL4836640

SCHEMBL4836640

COc1cc(NS(=O)(=O)c2cccc(C)c2)c(-c2nc(C)no2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
EDNRB P24530 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CG P48736 2/20 0.42

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
SCHEMBL4781223 0.90 EDNRB (0.48) EDNRAMEN1KMT2AALDH1A1EDNRB
SCHEMBL4781870 0.88 PIK3CG (0.40) EDNRAMEN1KMT2ASMN1; SMN2EDNRB
SCHEMBL30304724 0.87 AXL (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4780564 0.87 AXL (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4793152 0.86 SLC40A1 (0.46) EDNRAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4780300 0.82 ALDH1A1 (0.51) EDNRAMEN1KMT2AALDH1A1TP53
SCHEMBL4777477 0.74 EDNRB (0.50) EDNRAEDNRBTP53SLC40A1MAPT
SCHEMBL4846633 0.74 SLC20A2 (0.49) MEN1KMT2ASLC40A1LMNAKEAP1
SCHEMBL4775594 0.74 SLC20A2 (0.51) MEN1KMT2ASLC40A1LMNAKEAP1
SCHEMBL4727594 0.73 PIK3CG (0.41) EDNRAALDH1A1HSD17B10PIK3CDPIK3CG

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