SCHEMBL7015374

SCHEMBL7015374

CCCC[Sn](CCCC)(CCCC)c1c(F)cc2c(=O)c(C(=O)OCC)cn(C3CC3)c2c1C

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
KCNH2 Q12809 4/20 0.46
TOP2A P11388 5/20 0.42
TOP2B Q02880 5/20 0.42
STAT3 P40763 1/20 0.42
KMT2A Q03164 1/20 0.41
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL7010885 0.91 ADRB2 (0.54) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7009258 0.90 ADRB2 (0.53) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL7008652 0.84 ADRB2 (0.50) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL15828543 0.83 ADRB2 (0.59) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL143605 0.83 ADRB2 (0.64) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL5733569 0.82 ADRB2 (0.45) ADRB2KCNH2KMT2AGSK3BALDH1A1
SCHEMBL7011806 0.81 ADRB2 (0.59) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL10627001 0.81 ADRB2 (0.66) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL29492858 0.81 ADRB2 (0.68) ADRB2KCNH2TOP2ATOP2BSTAT3
SCHEMBL2844967 0.81 ADRB2 (0.68) ADRB2KCNH2TOP2ATOP2BSTAT3

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