SCHEMBL7008129

SCHEMBL7008129

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
HPGD P15428 2/20 0.42
TOP2A P11388 7/20 0.41
TOP2B Q02880 7/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC1 Q13547 1/20 0.36
CYP2C19 P33261 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
SCHEMBL7010320 0.93 TOP2A (0.49) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7008688 0.93 ADRB2 (0.45) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7010122 0.91 ADRB2 (0.43) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7006571 0.90 TOP2A (0.51) TOP2ATOP2BALDH1A1POLBCHRM2
SCHEMBL7007102 0.90 ADRB2 (0.42) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7010280 0.89 ADRB2 (0.42) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7500906 0.88 HPGD (0.42) ADRB2HPGDKMT2AMEN1MAPT
SCHEMBL7005348 0.85 HPGD (0.41) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7509004 0.85 ADRB2 (0.44) ADRB2HPGDTOP2ATOP2BKMT2A
SCHEMBL7010716 0.85 HPGD (0.45) 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-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