SCHEMBL5733827

SCHEMBL5733827

Cc1c(-c2ccc(N)nc2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.47
▸ TOP2B Q02880 8/20 0.47
▸ KCNH2 Q12809 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.40
▸ GSK3B P49841 4/20 0.40
▸ POLB P06746 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38

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
SCHEMBL5732577 0.91 TOP2A (0.52) TOP2ATOP2BKCNH2KDM4EPOLB
SCHEMBL5735858 0.89 TOP2A (0.46) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5732712 0.88 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5733083 0.88 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5742293 0.87 PIK3CG (0.48) TOP2ATOP2BKCNH2
SCHEMBL5733920 0.87 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EPOLB
SCHEMBL15828601 0.86 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5732430 0.86 TOP2A (0.44) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5732959 0.86 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5733255 0.86 TOP2A (0.48) TOP2ATOP2BKCNH2KDM4EGSK3B

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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