SCHEMBL6235628

SCHEMBL6235628

O=C(O)c1ccnc(C(=O)N(Cc2ccccc2-c2ccccc2)Cc2ccccc2-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.48
KDM5A P29375 4/20 0.48
KDM5B Q9UGL1 4/20 0.48
ALKBH5 Q6P6C2 2/20 0.48
FTO Q9C0B1 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KDM6B O15054 2/20 0.48
KDM4A O75164 2/20 0.48
KDM5C P41229 2/20 0.48
KDM2A Q9Y2K7 2/20 0.48
KDM3A Q9Y4C1 2/20 0.48
TET3 O43151 1/20 0.48
BBOX1 O75936 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ASPH Q12797 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
TET2 Q6N021 1/20 0.48
KDM7A Q6ZMT4 1/20 0.48
KDM8 Q8N371 1/20 0.48

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
SCHEMBL6235626 0.94 GPBAR1 (0.47) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL6985787 0.81 KDM4A (0.50) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL5210601 0.81 KDM4E (0.56) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL6987326 0.75 ALDH1A1 (0.43) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL6989518 0.75 ALDH1A1 (0.46) KDM4CKDM5AKDM5BKDM4AALDH1A1
SCHEMBL6989757 0.75 MAPT (0.47) KDM4CKDM5AKDM5BKDM4EKDM4A
SCHEMBL6238397 0.75 ALDH1A1 (0.54) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL5210605 0.74 CFTR (0.55) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL6232231 0.74 KDM4A (0.52) KDM4CKDM5AKDM5BALKBH5FTO
SCHEMBL5808530 0.74 ALDH1A1 (0.65) KDM4CKDM5AKDM5BALKBH5FTO

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-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed