SCHEMBL622083

SCHEMBL622083

ClCCc1cc2cc[nH]c2cc1OCl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
CSNK2A1 P68400 1/20 0.38
AHR P35869 6/20 0.37
NR4A2 P43354 3/20 0.37
LTA4H P09960 2/20 0.37
CMA1 P23946 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 1/20 0.37
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2A6 P11509 2/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TYR P14679 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
RAD51 Q06609 1/20 0.33

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
SCHEMBL31201815 0.78 CSNK2A1 (0.53) GPR84CSNK2A1AHRNR4A2LTA4H
SCHEMBL622414 0.71 MAPK14 (0.41) GPR84CSNK2A1NR4A2MEN1MAPK1
SCHEMBL27440375 0.71 TLR8 (0.46) GPR84NR4A2MEN1POLBMAPK1
SCHEMBL28220312 0.67 BACE1 (0.53) GPR84CSNK2A1AHRNR4A2LTA4H
SCHEMBL8527561 0.67 CSNK2A1 (0.51) GPR84CSNK2A1AHRNR4A2LTA4H
SCHEMBL1544861 0.67 TLR8 (0.48) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL1545308 0.67 TLR8 (0.48) GPR84CSNK2A1MEN1POLBMAPK1
SCHEMBL2530865 0.65 GPR84 (0.67) GPR84CSNK2A1AHRNR4A2LTA4H
SCHEMBL10289632 0.64 GPR84 (0.48) GPR84CSNK2A1AHRNR4A2LTA4H
SCHEMBL1748737 0.64 TLR8 (0.60) GPR84CSNK2A1AHRNR4A2LTA4H

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-2012020424-A1 A SHORT PROCESS FOR THE PREPARATION OF ZIPRASIDONE AND INTERMEDIATES THEREOF ARCH PHARMALABS LIMITED (IN) 2012-02-16 WO disclosed