SCHEMBL7900917

SCHEMBL7900917

O=Cc1cccc2c1C(=O)C=CC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.53
TOP1 P11387 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
IDO1 P14902 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PIN1 Q13526 2/20 0.53
THRB P10828 2/20 0.53
BLM P54132 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
USP2 O75604 2/20 0.53
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
AURKA O14965 2/20 0.53
AURKB Q96GD4 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TRPA1 O75762 1/20 0.53
P4HB P07237 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL4951213 0.74 KMT2A (0.65) MEN1KMT2AALDH1A1THRBBLM
SCHEMBL7899015 0.72 PTPRC (0.46) CDC25BTOP1MEN1KMT2AIDO1
SCHEMBL3612898 0.71 LMNA (0.55) MEN1KMT2AALDH1A1THRBBLM
SCHEMBL30086144 0.71 LMNA (0.55) MEN1KMT2AALDH1A1THRBBLM
SCHEMBL5158317 0.71 MAPT (0.48) CDC25BMEN1KMT2AALDH1A1THRB
SCHEMBL30173417 0.71 ADORA2A (0.53) CDC25BMEN1KMT2AALDH1A1THRB
SCHEMBL3247246 0.71 ADORA2A (0.53) CDC25BMEN1KMT2AALDH1A1THRB
SCHEMBL2079477 0.71 KMT2A (0.50) CDC25BMEN1KMT2AALDH1A1THRB
SCHEMBL10432889 0.71 TDP1 (0.46) MEN1KMT2AALDH1A1THRBBLM
SCHEMBL327050 0.70 ALDH1A1 (0.57) CDC25BTOP1MEN1KMT2AIDO1

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-6265220-B1 NON-IMMUNOCHEMICAL METHOD BY REACTING A COMPOUND COMPRISING CIS-1,4-DIOXO-2-BUTENE MOIETY OR HYDROLYTICALLY DERIVED PRECURSOR WITH HOMOCYSTEINE, THEN DETECTING PRODUCT WITHOUT SEPARATION FROM LIQUID ULLMAN EDWIN F (US) 2001-07-24 US disclosed
WO-2000000821-A1 ASSAY FOR HOMOCYSTEINE ULLMAN EDWIN F (US) 2000-01-06 WO disclosed