SCHEMBL7010273

SCHEMBL7010273

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
KCNH2 Q12809 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GSK3B P49841 2/20 0.39
TOP2A P11388 4/20 0.38
TOP2B Q02880 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7008712 0.95 ADRB2 (0.41) ADRB2KCNH2TDP1GSK3BTOP2A
SCHEMBL7012238 0.93 ADRB2 (0.41) ADRB2KCNH2TDP1GSK3BTOP2A
SCHEMBL7008680 0.92 TOP2A (0.47) KCNH2TDP1GSK3BTOP2ATOP2B
SCHEMBL7010122 0.88 ADRB2 (0.43) ADRB2KCNH2TDP1GSK3BTOP2A
SCHEMBL7006129 0.86 TOP2A (0.47) KCNH2TDP1GSK3BTOP2ATOP2B
SCHEMBL7013518 0.85 TOP2A (0.46) KCNH2TDP1GSK3BTOP2ATOP2B
SCHEMBL7008552 0.85 HPGD (0.41) ADRB2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL7010280 0.82 ADRB2 (0.42) ADRB2KCNH2TDP1GSK3BTOP2A
SCHEMBL7007102 0.81 ADRB2 (0.42) ADRB2KCNH2TDP1GSK3BTOP2A
SCHEMBL7008688 0.80 ADRB2 (0.45) ADRB2KCNH2TOP2ATOP2BHPGD

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