SCHEMBL9519562

SCHEMBL9519562

O=C(O)Oc1cn(C2CC2)c2c(F)c(-n3cnc(-c4ccccc4)c3)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 15/20 0.47
TOP2B Q02880 15/20 0.47
KCNH2 Q12809 2/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL9520197 0.88 TOP2A (0.60) TOP2ATOP2BKCNH2GSK3B
SCHEMBL10876273 0.81 TOP2A (0.48) TOP2ATOP2BKCNH2
SCHEMBL9048001 0.81 TOP2A (0.46) TOP2ATOP2BKCNH2GSK3B
SCHEMBL9671579 0.78 TOP2A (0.45) TOP2ATOP2BKCNH2
SCHEMBL7821385 0.78 KDM4E (0.54) TOP2ATOP2BKCNH2
SCHEMBL6213861 0.78 TOP2A (0.52) TOP2ATOP2BKCNH2GSK3B
SCHEMBL9668073 0.78 KCNH2 (0.47) TOP2ATOP2BKCNH2
SCHEMBL10811238 0.78 KCNH2 (0.47) TOP2ATOP2BKCNH2
Hydrochloric Acid SCHEMBL10502571 0.78 KDM4E (0.53) TOP2ATOP2BKCNH2
SCHEMBL10807064 0.77 TOP2A (0.51) TOP2ATOP2BKCNH2GSK3B

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 1 patent. 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