SCHEMBL13869724

SCHEMBL13869724

CCN(CC)c1ccc2c(C)c(-c3ccc(-c4ccc5c6ccc(-c7ccc(-c8cc9cc%10ccccc%10cc9oc8=O)s7)cc6n(-c6ccccc6)c5c4)cc3)c(=O)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.49
MAPT P10636 10/20 0.48
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 8/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.48
HIF1A Q16665 1/20 0.48
HTT P42858 8/20 0.39
KMT2A Q03164 7/20 0.39
ATM Q13315 7/20 0.39
MEN1 O00255 6/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
NPC1 O15118 4/20 0.39
HSD17B10 Q99714 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HBB P68871 2/20 0.39
HCRTR1 O43613 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL13869678 0.92 MAPT (0.50) EP300MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13869789 0.85 MAPT (0.49) EP300MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13869629 0.84 MAPT (0.55) EP300MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13869582 0.83 MAPT (0.53) EP300MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13869705 0.79 CYP19A1 (0.58) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL13869762 0.77 EP300 (0.45) EP300MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13869710 0.77 CYP19A1 (0.60) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL13869737 0.77 EP300 (0.64) EP300MAPTALDH1A1KDM4EL3MBTL1
SCHEMBL13869700 0.76 MAPT (0.56) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL13869745 0.75 CYP19A1 (0.55) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2

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