SCHEMBL7682574

SCHEMBL7682574

O=C(O)c1[nH]c2occc2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
RNASEH1 O60930 1/20 0.42
HAO1 Q9UJM8 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR2 P41597 3/20 0.38
GPR17 Q13304 2/20 0.37
TBXA2R P21731 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
PTPRG P23470 1/20 0.35

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
SCHEMBL7678604 0.83 PTGES (0.47) MEN1ALDH1A1KMT2A
SCHEMBL7680945 0.77 PTPRC (0.44) KDM4AKDM5AKDM5BRNASEH1HAO1
SCHEMBL7076761 0.74 MCL1 (0.48) KDM4AKDM5AKDM5BRNASEH1MEN1
SCHEMBL7072708 0.72 GPR17 (0.61) MEN1ALDH1A1KMT2ACCR2GPR17
SCHEMBL8095087 0.72 RNASEH1 (0.42) KDM4AKDM5AKDM5BRNASEH1HAO1
SCHEMBL7074182 0.71 EGFR (0.50) MEN1ALDH1A1KMT2A
SCHEMBL7074236 0.70 POLB (0.47)
Ethyne SCHEMBL7605585 0.68 GPR17 (0.45) KDM4AKDM5AKDM5BRNASEH1GPR17
SCHEMBL8093064 0.68 PTK2 (0.47) KDM4AKDM5AKDM5BRNASEH1HAO1
SCHEMBL27873446 0.67 PTPRG (0.56) KDM4AKDM5AKDM5BRNASEH1HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479527-B1 Bicyclic pyrrole derivatives as MCP-1 inhibitors ASTRAZENECA UK LIMITED (GB) 2002-11-12 US disclosed
EP-1056451-A1 BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS AstraZeneca UK Limited (GB) 2000-12-06 EP disclosed
WO-1999040914-A1 BICYCLIC PYRROLE DERIVATIVES AS MCP-1 INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed