SCHEMBL5733533

SCHEMBL5733533

Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc(CN)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 12/20 0.52
▸ TOP2B Q02880 12/20 0.52
▸ KCNH2 Q12809 5/20 0.46
▸ GSK3B P49841 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DPP4 P27487 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
Hydrochloric Acid SCHEMBL5733325 0.99 TOP2A (0.52) TOP2ATOP2BKCNH2GSK3BCHRM2
SCHEMBL5734282 0.92 TOP2A (0.53) TOP2ATOP2BKCNH2GSK3B
SCHEMBL5732781 0.90 TOP2A (0.62) TOP2ATOP2BKCNH2
SCHEMBL5733103 0.81 ADRB2 (0.42) TOP2ATOP2BKCNH2
SCHEMBL9720481 0.81 TOP2A (0.56) TOP2ATOP2BKCNH2CHRM2DRD1
SCHEMBL5732622 0.80 ADRB2 (0.41) TOP2ATOP2BKCNH2
SCHEMBL5733232 0.80 TOP2A (0.48) TOP2ATOP2B
SCHEMBL5732577 0.79 TOP2A (0.52) TOP2ATOP2BKCNH2CHRM2
SCHEMBL5732660 0.79 TOP2A (0.60) TOP2ATOP2BKCNH2GSK3B
SCHEMBL5733255 0.79 TOP2A (0.48) TOP2ATOP2BKCNH2GSK3BCHRM2

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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