SCHEMBL7009258

SCHEMBL7009258

CCCC[Sn](CCCC)(CCCC)c1c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c2c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.53
GSK3B P49841 2/20 0.47
KCNH2 Q12809 4/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TOP2A P11388 1/20 0.40

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
SCHEMBL7015374 0.90 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL7010885 0.89 ADRB2 (0.54) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL29391687 0.84 ADRB2 (0.61) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL1989474 0.84 ADRB2 (0.61) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL30891261 0.82 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL30944906 0.82 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL27442162 0.82 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL5704361 0.82 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL30944930 0.82 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1
SCHEMBL7011678 0.82 ADRB2 (0.56) ADRB2GSK3BKCNH2KDM4EALDH1A1

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