SCHEMBL7010716

SCHEMBL7010716

CCOC(=O)c1cn(C2CC2)c2cc(-c3ccc4c(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 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
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.41
ADRB2 P07550 1/20 0.40
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 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
SCHEMBL7010053 0.90 ALDH1A1 (0.50) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL7014300 0.87 HPGD (0.46) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7015097 0.87 HPGD (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7008552 0.87 HPGD (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7509004 0.87 ADRB2 (0.44) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7010320 0.86 TOP2A (0.49) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7008688 0.86 ADRB2 (0.45) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7005348 0.86 HPGD (0.41) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7012882 0.85 HPGD (0.45) HPGDKMT2AMAPTMEN1THRB
SCHEMBL7499890 0.85 HPGD (0.43) HPGDKMT2AMAPTMEN1THRB

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