SCHEMBL7010122

SCHEMBL7010122

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
HPGD P15428 3/20 0.41
KCNH2 Q12809 3/20 0.41
GSK3B P49841 2/20 0.40
TOP2A P11388 4/20 0.40
TOP2B Q02880 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL7007102 0.93 ADRB2 (0.42) ADRB2HPGDKCNH2GSK3BTOP2A
SCHEMBL7010280 0.92 ADRB2 (0.42) ADRB2HPGDKCNH2GSK3BTOP2A
SCHEMBL7008688 0.92 ADRB2 (0.45) ADRB2HPGDKCNH2TOP2ATOP2B
SCHEMBL7010320 0.92 TOP2A (0.49) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7007624 0.91 TOP2A (0.49) HPGDKCNH2GSK3BTOP2ATOP2B
SCHEMBL7008129 0.91 ADRB2 (0.44) ADRB2HPGDTOP2ATOP2BMEN1
SCHEMBL7008712 0.88 ADRB2 (0.41) ADRB2HPGDKCNH2GSK3BTOP2A
SCHEMBL7010273 0.88 ADRB2 (0.41) ADRB2HPGDKCNH2GSK3BTOP2A
SCHEMBL7012706 0.86 ADRB2 (0.45) ADRB2HPGDKCNH2GSK3BTOP2A
SCHEMBL7014704 0.85 TOP2A (0.49) HPGDKCNH2GSK3BTOP2ATOP2B

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