SCHEMBL11218459

SCHEMBL11218459

ClC(Cl)=Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 7/20 0.46
PTGS2 P35354 5/20 0.46
TTR P02766 3/20 0.46
PTGS1 P23219 2/20 0.46
TRPA1 O75762 2/20 0.46
AKR1B10 O60218 1/20 0.46
UGT1A9 O60656 1/20 0.46
ABCB11 O95342 1/20 0.46
MT-CO2 P00403 1/20 0.46
ALB P02768 1/20 0.46
UGT1A6 P19224 1/20 0.46
UGT1A1 P22309 1/20 0.46
CXCR1 P25024 1/20 0.46
ADRA1A P35348 1/20 0.46
AGTR2 P50052 1/20 0.46
NR1I3 Q14994 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
UGT1A7 Q9HAW7 1/20 0.46
UGT1A10 Q9HAW8 1/20 0.46

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
SCHEMBL11403806 0.82 CXCL8 (0.44) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL2553022 0.79 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL31333015 0.79 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL7351383 0.78 CXCL8 (0.47) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL7351378 0.78 CXCL8 (0.47) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL11312616 0.77 CXCL8 (0.41) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL28206846 0.76 CXCL8 (0.46) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL10971729 0.75 KDM4E (0.49) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL10971732 0.75 KDM4E (0.49) CXCL8PTGS2TTRPTGS1TRPA1
SCHEMBL9693585 0.75 TRPA1 (0.57) TRPA1TSHRLMNAKMT2A

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
JP-57064647-A None JP disclosed
JP-S5764647-A 1-(O(2',6'-DICHLOROANILINO)PHENYL)-2,2-DIHALOGENOETHYLENE ZENYAKU KOGYO KK 1982-04-19 JP disclosed