SCHEMBL6985787

SCHEMBL6985787

O=C(O)c1ccnc(C(=O)N(Cc2cccc3ccccc23)Cc2cccc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.50
KDM4C Q9H3R0 3/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
ALKBH5 Q6P6C2 2/20 0.47
FTO Q9C0B1 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
KDM6B O15054 2/20 0.47
KDM5C P41229 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
KDM3A Q9Y4C1 2/20 0.47
TET3 O43151 1/20 0.47
BBOX1 O75936 1/20 0.47
MAPT P10636 1/20 0.47
KDM5A P29375 1/20 0.47
ASPH Q12797 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TET2 Q6N021 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47

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
SCHEMBL6985789 0.93 HDAC1 (0.51) KDM4AKDM4CHDAC1HDAC6ALDH1A1
SCHEMBL6235628 0.81 KDM4C (0.48) KDM4AKDM4CHDAC1HDAC6ALKBH5
SCHEMBL5210601 0.80 KDM4E (0.56) KDM4AKDM4CHDAC1HDAC6ALKBH5
SCHEMBL28967781 0.78 CYP2C9 (0.54) KDM4AKDM4CALKBH5FTOALDH1A1
SCHEMBL19615585 0.78 ALDH1A1 (0.50) KDM4AKDM4CALKBH5FTOALDH1A1
SCHEMBL30253543 0.78 CYP2C9 (0.54) KDM4AKDM4CALKBH5FTOALDH1A1
SCHEMBL28967801 0.77 CYP2C9 (0.53) KDM4AKDM4CALKBH5FTOALDH1A1
Hydrochloric Acid SCHEMBL30253848 0.77 CYP2C9 (0.53) KDM4AKDM4CALKBH5FTOALDH1A1
SCHEMBL30253736 0.77 CYP2C9 (0.53) KDM4AKDM4CALKBH5FTOALDH1A1
Hydrochloric Acid SCHEMBL28967775 0.77 CYP2C9 (0.53) KDM4AKDM4CALKBH5FTOALDH1A1

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