SCHEMBL8236002

SCHEMBL8236002

Cc1ccc(-c2nc(Nc3cccc(C(=O)O)c3)c3ccccc3n2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.67
MEN1 O00255 9/20 0.67
ABCG2 Q9UNQ0 4/20 0.63
MAPT P10636 5/20 0.62
TP53 P04637 2/20 0.62
RORC P51449 1/20 0.59
MAPK14 Q16539 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TGFBR1 P36897 1/20 0.59
ABCB1 P08183 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
PDE5A O76074 1/20 0.57
NTSR1 P30989 1/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL5526966 0.85 MEN1 (0.82) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL13945461 0.81 MEN1 (0.97) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL3890403 0.81 MAPT (0.83) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL5532972 0.80 MAPT (0.69) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL7280956 0.77 ABCG2 (1.00) KMT2AMEN1ABCG2L3MBTL1ABCB1
SCHEMBL13945465 0.76 MEN1 (0.82) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL22201667 0.76 ABCG2 (0.67) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL1083771 0.75 MEN1 (0.98) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL8094111 0.73 MAPT (0.67) KMT2AMEN1ABCG2MAPTTP53
SCHEMBL16404300 0.72 ABCG2 (0.65) KMT2AMEN1ABCG2MAPTTP53

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-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed