SCHEMBL7680945

SCHEMBL7680945

O=C(O)c1[nH]c2sccc2c1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.44
PTPRG P23470 2/20 0.44
MAPT P10636 1/20 0.44
PTPN1 P18031 1/20 0.44
ABCB11 O95342 2/20 0.42
RNASEH1 O60930 1/20 0.42
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
FEN1 P39748 1/20 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

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
SCHEMBL7682599 0.83 PTGES (0.47) MAPTALDH1A1LMNA
SCHEMBL7682574 0.77 KDM4A (0.43) PTPRGRNASEH1KDM4AKDM5AKDM5B
SCHEMBL7076761 0.74 MCL1 (0.48) MAPTRNASEH1KDM4AKDM5AKDM5B
SCHEMBL1244218 0.73 TNKS2 (0.43) FEN1ALDH1A1DAO
SCHEMBL7680964 0.72 KMT2A (0.37) PTPRCPTPRGMAPTPTPN1LMNA
SCHEMBL7072708 0.72 GPR17 (0.61) MAPTGPR17ALDH1A1HPGD
SCHEMBL8095087 0.72 RNASEH1 (0.42) PTPRGMAPTRNASEH1KDM4AKDM5A
SCHEMBL7074236 0.70 POLB (0.47)
SCHEMBL23327755 0.69 GPR35 (0.54) ALDH1A1HPGDDAO
SCHEMBL7074182 0.69 EGFR (0.50) MAPTALDH1A1LMNAHPGD

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