SCHEMBL13869762

SCHEMBL13869762

CCN(CC)c1ccc2c(C)c(-c3cnc(-c4ccc5c(c4)c4cc(-c6cc7cc8ccccc8cc7oc6=O)ccc4n5-c4ccccc4)cn3)c(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.45
MAPT P10636 10/20 0.44
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 9/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HPGD P15428 4/20 0.44
HIF1A Q16665 1/20 0.44
HTT P42858 9/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
ATM Q13315 7/20 0.41
NPC1 O15118 5/20 0.41
CASP1 P29466 5/20 0.41
CASP7 P55210 5/20 0.41
HSD17B10 Q99714 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HBB P68871 2/20 0.41
HCRTR1 O43613 1/20 0.41
TSHR P16473 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
SCHEMBL13869702 0.92 MAPT (0.46) EP300MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13869834 0.85 MAPT (0.52) EP300MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13869745 0.85 CYP19A1 (0.55) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869737 0.82 EP300 (0.64) EP300MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13869750 0.80 CYP19A1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869759 0.78 CYP19A1 (0.52) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869825 0.77 MAPT (0.62) EP300MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13869735 0.77 MAPT (0.56) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL13869724 0.77 EP300 (0.49) EP300MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL13869755 0.77 MAPT (0.54) MAPTALDH1A1KDM4ESMN1; SMN2L3MBTL1

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
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed