SCHEMBL5733125

SCHEMBL5733125

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.42
▸ TOP2B Q02880 8/20 0.42
▸ KCNH2 Q12809 6/20 0.38
▸ PIK3CA P42336 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL5735964 0.91 TOP2A (0.43) TOP2ATOP2BKCNH2PIK3CAKDM4E
SCHEMBL5733481 0.90 TOP2A (0.45) TOP2ATOP2BKCNH2PIK3CAKDM4E
SCHEMBL5732675 0.90 ADRB2 (0.42) TOP2ATOP2BKCNH2PIK3CAKDM4E
SCHEMBL5732959 0.85 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5733083 0.83 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4ECYP1A2
SCHEMBL5743069 0.82 ADRB2 (0.41) TOP2ATOP2BPIK3CAKDM4ECYP1A2
SCHEMBL5742552 0.81 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EGSK3B
Ozenoxacin SCHEMBL1711829 0.81 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EGSK3B
Ozenoxacin SCHEMBL29379004 0.81 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EGSK3B
SCHEMBL5732598 0.81 ADRB2 (0.43) TOP2ATOP2BKCNH2PIK3CA

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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