SCHEMBL5732731

SCHEMBL5732731

Cc1c(-c2cccnc2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 9/20 0.62
▸ TOP2B Q02880 9/20 0.62
▸ KDM4E B2RXH2 2/20 0.42
▸ KCNH2 Q12809 4/20 0.42
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP11 Q9NR21 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ GPR35 Q9HC97 1/20 0.37

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
SCHEMBL5732660 0.88 TOP2A (0.60) TOP2ATOP2BKDM4EKCNH2GSK3B
SCHEMBL7691311 0.87 TOP2A (0.49) TOP2ATOP2BKDM4EHTT
SCHEMBL5733843 0.87 TOP2A (0.49) TOP2ATOP2BKDM4EKCNH2GSK3B
SCHEMBL5732577 0.86 TOP2A (0.52) TOP2ATOP2BKDM4EKCNH2LMNA
SCHEMBL5733255 0.86 TOP2A (0.48) TOP2ATOP2BKDM4EKCNH2GSK3B
SCHEMBL5733827 0.83 TOP2A (0.47) TOP2ATOP2BKDM4EKCNH2GSK3B
SCHEMBL5734038 0.83 TOP2A (0.47) TOP2ATOP2BKDM4EKCNH2GSK3B
SCHEMBL5732781 0.83 TOP2A (0.62) TOP2ATOP2BKDM4EKCNH2
SCHEMBL5735858 0.82 TOP2A (0.46) TOP2ATOP2BKDM4EKCNH2GSK3B
SCHEMBL5732959 0.82 TOP2A (0.50) TOP2ATOP2BKDM4EKCNH2GSK3B

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-1070713-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2006-10-18 — — EP disclosed
US-6335447-B1 BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 2002-01-01 — — US disclosed
EP-1070713-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2001-01-24 — — EP disclosed
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