SCHEMBL7145398

SCHEMBL7145398

CCC(=CCn1c(=O)c2cc(C(=O)NCc3ccc(OC)cc3)ccc2n(C)c1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MMP13 P45452 2/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 2/20 0.43
HPGD P15428 2/20 0.43
PPARG P37231 1/20 0.43
ROCK2 O75116 1/20 0.43
RORC P51449 1/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7145379 1.00 MAPT (0.49) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7629636 0.90 MAPT (0.48) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7629654 0.90 MAPT (0.48) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7099399 0.89 MAPT (0.50) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7103427 0.86 MAPT (0.55) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7627970 0.86 MAPT (0.52) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7190815 0.85 MAPT (0.49) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7190819 0.85 MAPT (0.49) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL6234634 0.84 MMP13 (0.58) MAPTMMP13KDM4EALDH1A1MEN1
SCHEMBL7629640 0.83 MAPT (0.49) MAPTMMP13KDM4EALDH1A1MEN1

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-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP claimed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed