SCHEMBL7010658

SCHEMBL7010658

O=C(O)c1cn(C2CC2)c2cc(-c3c(F)c(F)c4c(c3F)CNC4)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.57
TOP2B Q02880 7/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPT P10636 1/20 0.50
PIK3CG P48736 4/20 0.46
PIK3CD O00329 3/20 0.46
PIK3R1 P27986 3/20 0.46
PIK3CA P42336 3/20 0.46
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL7006246 0.89 TOP2A (0.58) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7006195 0.83 TOP2A (0.55) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7006088 0.83 TOP2A (0.56) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7008835 0.80 TOP2A (0.53) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL7006628 0.79 TOP2A (0.56) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL4996735 0.79 TOP2A (0.52) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL501238 0.79 KDM4E (0.69) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL29442121 0.79 KDM4E (0.69) TOP2ATOP2BKDM4EALDH1A1LMNA
Bromide SCHEMBL7012863 0.78 TOP2A (0.56) TOP2ATOP2BKDM4EALDH1A1LMNA
SCHEMBL10591008 0.78 TOP2A (0.59) TOP2ATOP2BKDM4EALDH1A1LMNA

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