SCHEMBL359483

SCHEMBL359483

N#Cc1c(Cl)c2ccc(Cc3ccc(F)cc3)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PTGES O14684 1/20 0.39
CYP2C9 P11712 1/20 0.39
FASN P49327 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE9A O76083 1/20 0.37
FEN1 P39748 1/20 0.36
DAO P14920 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL18584332 0.89 PTGES (0.49) HSD11B1ALDH1A1KMT2AKDM4EGAA
SCHEMBL356250 0.85 KDM5A (0.49) ALDH1A1HPGDLMNAGFERKMT2A
SCHEMBL5559581 0.80 HSD11B1 (0.39) HSD11B1ALDH1A1HPGDLMNAGFER
Hydrochloric Acid SCHEMBL13280195 0.76 KCNH2 (0.39) HSD11B1ALDH1A1HPGDLMNAGFER
SCHEMBL13280383 0.75 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL2870927 0.74 KDM5A (0.47) ALDH1A1HPGDKDM4EGAAFASN
SCHEMBL359185 0.74 PDE9A (0.48) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL13280613 0.74 TDP1 (0.34) HSD11B1ALDH1A1HPGDLMNAGFER
SCHEMBL13280424 0.74 MCHR1 (0.38) HSD11B1ALDH1A1MAPTHTTPTGES
SCHEMBL18584520 0.73 FEN1 (0.51) ALDH1A1KMT2AKDM4EMAPTPTGES

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696682-A2 MIF INHIBITORS AND THEIR USES Innovimmune Biotherapeutics, Inc. (US) 2014-02-19 EP disclosed
EP-2592933-A1 MIF INHIBITORS AND THEIR USES Gaweco, Anderson (US) 2013-05-22 EP disclosed
WO-2012142498-A2 MIF INHIBITORS AND THEIR USES INNOVIMMUNE BIOTHERAPEUTICS, INC. (US) 2012-10-18 WO disclosed
WO-2012009649-A1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2012-01-19 WO disclosed