SCHEMBL7010280

SCHEMBL7010280

CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(-c3ccc4c(c3)CN(S(=O)(=O)c3ccc(C)cc3)C4)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
HPGD P15428 1/20 0.40
TOP2A P11388 6/20 0.39
TOP2B Q02880 6/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 3/20 0.35
GSK3B P49841 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 1/20 0.34
GAA P10253 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
SCHEMBL7010122 0.92 ADRB2 (0.43) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7008331 0.92 TOP2A (0.47) HPGDTOP2ATOP2BMEN1KMT2A
SCHEMBL7007102 0.91 ADRB2 (0.42) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7008688 0.90 ADRB2 (0.45) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7010320 0.90 TOP2A (0.49) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7504090 0.89 HPGD (0.39) ADRB2HPGDMEN1MAPTTHRB
SCHEMBL7008129 0.89 ADRB2 (0.44) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7012238 0.89 ADRB2 (0.41) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7500976 0.84 ADRB2 (0.38) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7007624 0.84 TOP2A (0.49) HPGDTOP2ATOP2BMEN1KMT2A

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