SCHEMBL17318552

SCHEMBL17318552

COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1-c1cc2ccccc2oc1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.73
TP53 P04637 3/20 0.73
KDM4E B2RXH2 6/20 0.72
HPGD P15428 5/20 0.72
ALDH1A1 P00352 5/20 0.72
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
LMNA P02545 5/20 0.71
RXFP1 Q9HBX9 1/20 0.71
THRB P10828 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.59
POLB P06746 2/20 0.56
RECQL P46063 1/20 0.56
PTK2B Q14289 1/20 0.56
NPSR1 Q6W5P4 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
SCHEMBL3130403 0.82 KDM4E (0.73) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3128145 0.80 ALDH1A1 (0.67) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL13757050 0.78 ALDH1A1 (0.68) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3124699 0.78 ALDH1A1 (0.77) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3134218 0.78 ALDH1A1 (0.68) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3130399 0.78 MAPT (0.66) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3133866 0.77 ALDH1A1 (0.67) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3125211 0.77 ALDH1A1 (0.63) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3910984 0.76 MAPT (0.60) MAPTTP53KDM4EHPGDALDH1A1
SCHEMBL3131662 0.76 MAPT (0.62) MAPTTP53KDM4EHPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015187827-A1 NOVEL EFFECTIVE ANTIVIRAL COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-10 WO disclosed