SCHEMBL7500976

SCHEMBL7500976

CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(-c3cc(F)c4c(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
GAA P10253 1/20 0.32
KCNH2 Q12809 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GSK3B P49841 1/20 0.31

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
SCHEMBL7499466 0.93 ADRB2 (0.39) ADRB2HPGDKMT2AMEN1MAPT
SCHEMBL7503192 0.92 HPGD (0.37) ADRB2HPGDKMT2AMEN1MAPT
SCHEMBL7506840 0.92 TOP2A (0.40) HPGDKMT2AMEN1KDM4ELMNA
SCHEMBL7504090 0.91 HPGD (0.39) ADRB2HPGDKMT2AMEN1MAPT
SCHEMBL7499418 0.91 ADRB2 (0.41) ADRB2HPGDKMT2AMEN1MAPT
SCHEMBL7502023 0.85 KCNH2 (0.37) HPGDKMT2AMEN1KDM4ELMNA
SCHEMBL7495686 0.84 KCNH2 (0.44) HPGDKMT2AMEN1KDM4ELMNA
SCHEMBL7010280 0.84 ADRB2 (0.42) ADRB2HPGDKMT2AMEN1MAPT
SCHEMBL7492547 0.82 KCNH2 (0.39) HPGDKMT2AMEN1KDM4ELMNA
SCHEMBL7497474 0.81 ADRB2 (0.40) ADRB2HPGDKMT2AMEN1MAPT

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