SCHEMBL6985002

SCHEMBL6985002

O=C(c1ccnc(C(=O)N(CCCCc2ccccc2)CCCCc2ccccc2)c1)N(CCCCc1ccccc1)CCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
KDM5A P29375 2/20 0.42
KDM5C P41229 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
LPAR1 Q92633 4/20 0.42
FAAH O00519 2/20 0.41
CES1 P23141 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM6B O15054 1/20 0.41
TET3 O43151 1/20 0.41
KDM4A O75164 1/20 0.41
BBOX1 O75936 1/20 0.41
ASPH Q12797 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
KDM8 Q8N371 1/20 0.41

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
SCHEMBL6985000 0.93 KDM4C (0.50) KDM4EKDM5AKDM5CKDM5BLPAR1
SCHEMBL6989792 0.92 MEN1 (0.45) KDM4EKDM5AKDM5CKDM5BLPAR1
SCHEMBL5210605 0.83 CFTR (0.55) KDM4EKDM5AKDM5CKDM5BALDH1A1
SCHEMBL5214358 0.78 PPARG (0.55) ALDH1A1MAPTL3MBTL1
SCHEMBL6985934 0.78 MAPT (0.43) KDM4EKDM5AKDM5CKDM5BALDH1A1
SCHEMBL6235518 0.78 ALDH1A1 (0.49) KDM4EKDM5AKDM5CKDM5BLPAR1
SCHEMBL6988726 0.78 PTGDR2 (0.47) KDM4EKDM5AKDM5CKDM5BALDH1A1
SCHEMBL6239726 0.78 ALDH1A1 (0.46) KDM4EKDM5AKDM5CKDM5BALDH1A1
SCHEMBL16569986 0.77 ALDH1A1 (0.53) KDM4EKDM5AKDM5CKDM5BALDH1A1
SCHEMBL6232235 0.76 KDM4A (0.43) KDM4EKDM5AKDM5CKDM5BALDH1A1

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
EP-1362033-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064568-A1 PYRIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed