SCHEMBL5733083

SCHEMBL5733083

Cc1cc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.47
▸ TOP2B Q02880 8/20 0.47
▸ KCNH2 Q12809 7/20 0.43
▸ POLB P06746 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ CACNA1F O60840 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CACNA1D Q01668 1/20 0.36
▸ CACNA1S Q13698 1/20 0.36

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
SCHEMBL5732712 0.92 TOP2A (0.47) TOP2ATOP2BKCNH2POLBKDM4E
SCHEMBL15828601 0.91 TOP2A (0.45) TOP2ATOP2BKCNH2POLBKDM4E
SCHEMBL5732959 0.90 TOP2A (0.50) TOP2ATOP2BKCNH2POLBKDM4E
SCHEMBL5732937 0.89 KCNH2 (0.51) TOP2ATOP2BKCNH2POLBKDM4E
SCHEMBL15828600 0.89 TOP2A (0.44) TOP2ATOP2BKCNH2POLBALDH1A1
SCHEMBL5733481 0.89 TOP2A (0.45) TOP2ATOP2BKCNH2POLBKDM4E
SCHEMBL5733827 0.88 TOP2A (0.47) TOP2ATOP2BKCNH2POLBKDM4E
Ozenoxacin SCHEMBL1711829 0.87 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5742552 0.87 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EGSK3B
Ozenoxacin SCHEMBL29379004 0.87 TOP2A (0.45) 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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