SCHEMBL5731343

SCHEMBL5731343

COc1cccc(CNC(=O)c2ccc[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
MMP13 P45452 3/20 0.65
GAA P10253 1/20 0.65
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
APEX1 P27695 1/20 0.57
RAB9A P51151 1/20 0.56
AURKA O14965 1/20 0.56

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
SCHEMBL3339441 0.85 KDM4E (0.72) MAPTGAAKDM4EHPGDALDH1A1
SCHEMBL29191009 0.80 MEN1 (0.67) MAPTMMP13KDM4EHPGDALDH1A1
SCHEMBL7011229 0.80 LMNA (0.72) GAAKDM4EHPGDALDH1A1LMNA
SCHEMBL31061610 0.79 MMP13 (1.00) MMP13GAAKDM4EHPGDALDH1A1
SCHEMBL9416645 0.79 MMP13 (0.94) MMP13GAAKDM4EHPGDALDH1A1
SCHEMBL5332068 0.79 MMP13 (1.00) MMP13GAAKDM4EHPGDALDH1A1
SCHEMBL2576103 0.78 KDM4E (0.74) GAAKDM4ELMNA
SCHEMBL3815151 0.78 ALDH1A1 (0.72) MAPTMMP13GAAKDM4EHPGD
SCHEMBL7134254 0.78 MMP13 (0.86) MMP13KDM4EHPGDALDH1A1USP2
SCHEMBL660541 0.77 MMP13 (0.70) MMP13KDM4EHPGDALDH1A1USP2

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-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed