SCHEMBL9520197

SCHEMBL9520197

O=C(O)c1cn(C2CC2)c2c(F)c(-n3cnc(-c4ccccc4)c3)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.60
TOP2B Q02880 7/20 0.60
KCNH2 Q12809 5/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
OPRM1 P35372 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRD1 P41143 1/20 0.49
GSK3B P49841 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9519562 0.88 TOP2A (0.47) TOP2ATOP2BKCNH2GSK3B
SCHEMBL9519028 0.86 TOP2A (0.64) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9753068 0.84 TOP2A (0.61) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9700512 0.81 TOP2A (0.64) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8136060 0.80 TOP2A (0.53) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8094873 0.79 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10337934 0.79 TOP2A (0.62) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL10511115 0.78 TOP2A (0.69) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9671570 0.77 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL7821381 0.77 KDM4E (0.69) TOP2ATOP2BKCNH2ALDH1A1POLB

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-0340055-B1 7-(1-IMIDAZOLYL)-1,4-DIHYDRO-4-OXO-6,8-DIFLUORO-1-CYCLOPROPYL QUINOLINECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1993-03-10 EP claimed
US-5098913-A Bactericides for grampositive bacteria LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-03-24 US claimed
US-5098913-A Bactericides for grampositive bacteria LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-03-24 US disclosed