SCHEMBL7016362

SCHEMBL7016362

Cc1c(-c2ccc3c(c2)CN(C)C3)c(F)cc2c(=O)c(C(=O)O)cn(CCF)c12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 3/20 0.48
TOP2A P11388 9/20 0.42
TOP2B Q02880 9/20 0.42
DRD3 P35462 1/20 0.42
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRA2B P18089 1/20 0.38
MAPK1 P28482 1/20 0.38
TOP1 P11387 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM1 P11229 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
SCHEMBL7010134 0.93 DRD3 (0.48) KDM4EALDH1A1TOP2ATOP2BDRD3
SCHEMBL7011144 0.91 KDM4E (0.62) KDM4EALDH1A1TOP2ATOP2BDRD3
SCHEMBL7013895 0.90 KDM4E (0.55) KDM4EALDH1A1TOP2ATOP2BDRD3
SCHEMBL7009430 0.88 KDM4E (0.53) KDM4EALDH1A1TOP2ATOP2BDRD3
SCHEMBL7004815 0.88 KDM4E (0.52) KDM4EALDH1A1TOP2ATOP2BDRD3
SCHEMBL7012150 0.86 KDM4E (0.46) KDM4EALDH1A1TOP2ATOP2BHPGD
SCHEMBL7011715 0.84 TOP2A (0.60) KDM4EALDH1A1TOP2ATOP2BHPGD
SCHEMBL7017563 0.84 KDM4E (0.52) KDM4EALDH1A1TOP2ATOP2BDRD3
SCHEMBL7004318 0.83 LMNA (0.52) KDM4EALDH1A1TOP2ATOP2BHPGD
SCHEMBL8319527 0.83 TOP2A (0.46) KDM4EALDH1A1TOP2ATOP2BHPGD

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