SCHEMBL4797387

SCHEMBL4797387

COc1ccc(N2CCN(C(=O)C=C3c4ccccc4C(=O)c4c(O)cccc43)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
P4HB P07237 1/20 0.43
AKR1C3 P42330 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP14 Q460N5 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL4582989 0.90 L3MBTL1 (0.53) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL4780609 0.78 MAOA (0.44) MAPTALDH1A1HTTMAPK1MEN1
SCHEMBL4798159 0.77 P4HB (0.51) P4HB
SCHEMBL4796301 0.71 TGM2 (0.50) L3MBTL1MAPTALDH1A1P4HBKDM4E
SCHEMBL20456543 0.70 L3MBTL1 (0.68) ACHEL3MBTL1MAPTALDH1A1HTT
SCHEMBL4781996 0.70 AR (0.43) P4HB
SCHEMBL15266902 0.67 L3MBTL1 (0.63) L3MBTL1MAPTALDH1A1MAPK1MEN1
SCHEMBL8073094 0.67 AR (0.58) P4HB
SCHEMBL27976453 0.67 AKR1C3 (0.85) L3MBTL1MAPTALDH1A1HTTMAPK1
SCHEMBL4797029 0.66 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA

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
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO claimed
WO-2008015265-A1 ANTHRACEN DERIVATIVES AND THEIR USE FOR THE TREATMENT OF BENIGN AND MALIGNANT TUMOROUS DISEASES ÆTERNA ZENTARIS GMBH (DE) 2008-02-07 WO disclosed