SCHEMBL4793152

SCHEMBL4793152

COc1cc(NS(=O)(=O)c2cccc(C)c2)c(-c2nc(C)co2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
EDNRA P25101 2/20 0.42
TSHR P16473 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
EDNRB P24530 1/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN5 P54829 2/20 0.41
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL4836640 0.86 EDNRA (0.46) SLC40A1MEN1KMT2ALMNAMAPT
SCHEMBL4781223 0.76 EDNRB (0.48) SLC40A1MEN1KMT2AMAPTALDH1A1
SCHEMBL4781870 0.74 PIK3CG (0.40) MEN1KMT2ALMNASMN1; SMN2EDNRA
SCHEMBL4780564 0.74 AXL (0.47) SLC40A1MEN1KMT2ALMNAMAPT
SCHEMBL30304724 0.74 AXL (0.47) SLC40A1MEN1KMT2ALMNAMAPT
SCHEMBL4842459 0.70 ALDH1A1 (0.47) SLC40A1MEN1KMT2AMAPTALDH1A1
SCHEMBL4777395 0.70 AXL (0.54) SLC40A1MEN1KMT2ALMNATSHR
SCHEMBL16501001 0.69 AXL (0.47) SLC40A1MEN1KMT2A
SCHEMBL4781581 0.68 AXL (0.49) SLC40A1MEN1KMT2ALMNATSHR
SCHEMBL4780300 0.68 ALDH1A1 (0.51) MEN1KMT2ALMNAMAPTKDM4E

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