SCHEMBL4796145

SCHEMBL4796145

Cc1cc(O)c2c(c1)C(=CC(=O)c1cccc(O)c1)c1ccccc1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.54
TAB1 Q15750 2/20 0.54
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ELANE P08246 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
BRCA1 P38398 1/20 0.47
RECQL P46063 1/20 0.47
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 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
SCHEMBL4838997 0.87 MAP3K7 (0.52) MAP3K7TAB1BCL2MCL1TUBB4A
SCHEMBL4782134 0.87 MAP3K7 (0.56) MAP3K7TAB1MEN1MAPTKMT2A
SCHEMBL4878944 0.86 MAP3K7 (0.51) MAP3K7TAB1BCL2MCL1TUBB4A
SCHEMBL4982754 0.84 MAP3K7 (0.54) MAP3K7TAB1ELANEMAPTTUBB4A
SCHEMBL4982750 0.84 MAP3K7 (0.54) MAP3K7TAB1ELANEMAPTTUBB4A
SCHEMBL4978547 0.84 MAP3K7 (0.64) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL14273454 0.81 MAP3K7 (0.51) MAP3K7TAB1ELANETUBB4ATUBB
SCHEMBL4882386 0.78 MAP3K7 (0.50) MAP3K7TAB1MEN1ALDH1A1CYP3A4
SCHEMBL4981870 0.77 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C
SCHEMBL4986292 0.77 MAP3K7 (0.54) MAP3K7TAB1TUBB4ATUBBTUBA3C

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