SCHEMBL7012882

SCHEMBL7012882

CCOC(=O)c1cn(C2CC2)c2cc(-c3cc(F)c4c(c3F)CN(S(=O)(=O)c3ccc(C)cc3)C4)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
ADRB2 P07550 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.36
TOP2A P11388 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7008300 0.90 KDM4E (0.50) HPGDMAPTKDM4EALDH1A1LMNA
SCHEMBL7012706 0.85 ADRB2 (0.45) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7010716 0.85 HPGD (0.45) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7008552 0.78 HPGD (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7015097 0.78 HPGD (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7498890 0.78 ADRB2 (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7499418 0.77 ADRB2 (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7499466 0.77 ADRB2 (0.39) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7497474 0.77 ADRB2 (0.40) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7013345 0.76 TOP2A (0.49) HPGDKMT2AMEN1KDM4EALDH1A1

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-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed