SCHEMBL7004763

SCHEMBL7004763

COc1c(-c2ccc3c(c2)CNC3)c(F)cc2c(=O)c(C(=O)O)cn(CCF)c12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TOP1 P11387 9/20 0.45
ALDH1A1 P00352 1/20 0.44
TOP2A P11388 4/20 0.40
TOP2B Q02880 4/20 0.40
KCNH2 Q12809 1/20 0.39
GSK3B P49841 1/20 0.39
DRD3 P35462 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
SCHEMBL7012951 0.92 KDM4E (0.45) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7009430 0.89 KDM4E (0.53) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7004815 0.88 KDM4E (0.52) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7005857 0.88 KDM4E (0.56) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7015679 0.86 KDM4E (0.50) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7006455 0.85 KDM4E (0.43) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7012229 0.84 TOP2A (0.57) KDM4EALDH1A1TOP2ATOP2BKCNH2
SCHEMBL7009844 0.83 PIM1 (0.46) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7005558 0.83 KDM4E (0.43) KDM4ETOP1ALDH1A1TOP2ATOP2B
SCHEMBL7009159 0.83 CYP3A4 (0.45) KDM4ETOP1ALDH1A1TOP2ATOP2B

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