SCHEMBL6238400

SCHEMBL6238400

O=C(c1ccnc(C(=O)N(Cc2ccncc2)Cc2ccncc2)c1)N(Cc1ccncc1)Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 9/20 0.46
SLC2A4 P14672 2/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
USP2 O75604 1/20 0.42
SLC2A8 Q9NY64 1/20 0.42
CFTR P13569 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 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
KDM5A P29375 1/20 0.41
KDM5C P41229 1/20 0.41
ASPH Q12797 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
TET2 Q6N021 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
SCHEMBL5215161 0.92 USP2 (0.53) SLC2A1SLC2A4ALDH1A1MAPTL3MBTL1
SCHEMBL6238397 0.91 ALDH1A1 (0.54) SLC2A1SLC2A4ALDH1A1MAPTL3MBTL1
SCHEMBL5210605 0.88 CFTR (0.55) ALDH1A1MAPTL3MBTL1CFTRKMT2A
SCHEMBL6992829 0.85 MAPT (0.46) SLC2A1ALDH1A1MAPTL3MBTL1CFTR
SCHEMBL6991899 0.85 MAPT (0.51) SLC2A1ALDH1A1MAPTL3MBTL1CFTR
SCHEMBL6991932 0.85 MAPT (0.41) SLC2A1SLC2A4ALDH1A1MAPTL3MBTL1
SCHEMBL6987913 0.83 KDM4E (0.48) ALDH1A1L3MBTL1CFTRKMT2AKDM4E
SCHEMBL6990533 0.82 SLC2A1 (0.53) SLC2A1SLC2A4ALDH1A1MAPTUSP2
SCHEMBL5210601 0.81 KDM4E (0.56) ALDH1A1MAPTL3MBTL1CFTRKMT2A
SCHEMBL5214358 0.80 PPARG (0.55) ALDH1A1MAPTL3MBTL1CFTRKMT2A

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