SCHEMBL6233370

SCHEMBL6233370

O=C(c1ccnc(C(=O)N(C(Cc2ccccc2)c2ccccc2)C(Cc2ccccc2)c2ccccc2)c1)N(C(Cc1ccccc1)c1ccccc1)C(Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALKBH5 Q6P6C2 2/20 0.39
FTO Q9C0B1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
BBOX1 O75936 1/20 0.39
MAPT P10636 1/20 0.39
KDM5C P41229 1/20 0.39
ASPH Q12797 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
TET2 Q6N021 1/20 0.39
KDM7A Q6ZMT4 1/20 0.39
KDM8 Q8N371 1/20 0.39
TET1 Q8NFU7 1/20 0.39
EGLN2 Q96KS0 1/20 0.39

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
SCHEMBL6233367 0.94 KDM4C (0.48) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL6989296 0.76 CYP11B1 (0.42) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL5210605 0.72 CFTR (0.55) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL6989789 0.72 KDM4C (0.53) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL6988726 0.71 PTGDR2 (0.47) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL6989792 0.70 MEN1 (0.45) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL6235622 0.70 BRD4 (0.43) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL6989293 0.70 KDM4C (0.47) KDM5AKDM4CKDM5BALDH1A1ALKBH5
SCHEMBL5215257 0.69 ALDH1A1 (0.50) ALDH1A1TRPM8KMT2A
SCHEMBL5210601 0.69 KDM4E (0.56) KDM5AKDM4CKDM5BALDH1A1ALKBH5

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