SCHEMBL7013592

SCHEMBL7013592

O=C(O)c1cn([C@@H]2C[C@@H]2F)c2cc(-c3ccc4c(c3)CNC4)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.43
TOP2A P11388 5/20 0.43
TOP2B Q02880 5/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.38
TOP1 P11387 3/20 0.38
PIK3CD O00329 2/20 0.37
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP2J2 P51589 1/20 0.36

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
SCHEMBL8323622 1.00 KDM4E (0.43) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL7006628 0.89 TOP2A (0.56) KDM4EALDH1A1TOP2ATOP2BLMNA
Bromide SCHEMBL7012863 0.88 TOP2A (0.56) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL8327077 0.86 KDM4E (0.40) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL7012437 0.86 KDM4E (0.40) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL7011800 0.86 KDM4E (0.47) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL8323564 0.82 TOP2A (0.57) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL8323568 0.82 TOP2A (0.57) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL8317658 0.81 TOP2A (0.49) KDM4EALDH1A1TOP2ATOP2BLMNA
SCHEMBL7010651 0.81 TOP2A (0.49) KDM4EALDH1A1TOP2ATOP2BLMNA

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