SCHEMBL7500906

SCHEMBL7500906

CCOC(=O)c1cn(C2CC2)c2c(Cl)c(-c3ccc4c(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 1/20 0.35
VCAM1 P19320 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7499890 0.92 HPGD (0.43) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7509004 0.91 ADRB2 (0.44) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7503095 0.90 HDAC1 (0.40) KDM4ELMNAHDAC1ALDH1A1POLB
SCHEMBL7504090 0.88 HPGD (0.39) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7008129 0.88 ADRB2 (0.44) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7010716 0.84 HPGD (0.45) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7008688 0.83 ADRB2 (0.45) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7010320 0.83 TOP2A (0.49) HPGDKMT2AMEN1MAPTTHRB
SCHEMBL7502981 0.82 HDAC1 (0.41) KDM4ELMNAHDAC1ALDH1A1GAA
SCHEMBL7499418 0.82 ADRB2 (0.41) HPGDKMT2AMEN1MAPTTHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 EP disclosed