SCHEMBL4068640

SCHEMBL4068640

O=[C]c1cccc(C(=O)c2ccc3ccccc3c2)c1C(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
BAD Q92934 1/20 0.44
CDC25B P30305 1/20 0.42
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.41
EP300 Q09472 1/20 0.41
PRMT1 Q99873 1/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
GCGR P47871 2/20 0.40
CTSG P08311 1/20 0.40
ACP3 P15309 1/20 0.40
CMA1 P23946 1/20 0.40

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
SCHEMBL9856895 0.85 CDC25B (0.56) BCL2MCL1BADCDC25BH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL2319104 0.82 CES2 (0.49) MAPK1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL17077949 0.82 CES2 (0.52) CDC25BMAPK1MEN1MAPTKMT2A
SCHEMBL9768817 0.81 CDC25B (0.51) CDC25BMAPK1MEN1MAPTKMT2A
SCHEMBL2014295 0.79 BCL2 (0.58) BCL2MCL1BADCDC25BH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL10590196 0.77 CDC25B (0.41) BCL2MCL1BADCDC25BH4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16
SCHEMBL5911604 0.76 CDC25B (0.61) CDC25BMEN1MAPTKMT2ACNR2
SCHEMBL11383181 0.75 CDC25B (0.56) BCL2MCL1BADCDC25BMEN1
SCHEMBL27656847 0.74 ALDH1A1 (0.59) BCL2MCL1BADCDC25BMAPK1
SCHEMBL10657458 0.74 AKR1C3 (0.52) CDC25BMEN1MAPTKMT2ANR4A1

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
EP-2065053-A1 CELL DEATH INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2009-06-03 EP disclosed