SCHEMBL4780415

SCHEMBL4780415

COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(-c2ncco2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPT P10636 1/20 0.50
PLAU P00749 1/20 0.48
KDM4E B2RXH2 1/20 0.48
AR P10275 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
PGR P06401 1/20 0.46
DDX3X O00571 1/20 0.46
NFKBIA P25963 1/20 0.46
RELA Q04206 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
EDNRA P25101 1/20 0.45

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
SCHEMBL18315257 0.85 KEAP1 (0.50) MEN1KMT2ATDP1LMNAPOLB
SCHEMBL30304671 0.85 KEAP1 (0.50) MEN1KMT2ATDP1LMNAPOLB
SCHEMBL3098055 0.84 AXL (0.52) MEN1KMT2APGRKEAP1NFE2L2
SCHEMBL3083474 0.84 DNMT1 (0.46) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL4779121 0.83 KEAP1 (0.45) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL4777554 0.82 PKM (0.46) MEN1KMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL31478916 0.82 AXL (0.53) MEN1KMT2APLAUARLMNA
SCHEMBL3097960 0.82 AXL (0.53) MEN1KMT2APLAUARLMNA
SCHEMBL3095654 0.81 STAT3 (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL4781379 0.80 TSHR (0.46) MEN1KMT2AALDH1A1KDM4ELMNA

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