SCHEMBL5733359

SCHEMBL5733359

CC(=O)N(C)c1ccc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.43
▸ TOP2B Q02880 8/20 0.43
▸ KCNH2 Q12809 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GSK3B P49841 2/20 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
SCHEMBL5733920 0.92 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EPIK3CA
SCHEMBL5735964 0.86 TOP2A (0.43) TOP2ATOP2BKCNH2KDM4EPIK3CA
SCHEMBL5732577 0.85 TOP2A (0.52) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL5733827 0.84 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL5735858 0.84 TOP2A (0.46) TOP2ATOP2BKCNH2KDM4EMEN1
SCHEMBL5742293 0.82 PIK3CG (0.48) TOP2ATOP2BKCNH2PIK3CA
SCHEMBL5733481 0.81 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4EPIK3CA
SCHEMBL5732430 0.81 TOP2A (0.44) TOP2ATOP2BKCNH2KDM4EMEN1
SCHEMBL5732959 0.81 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL5733902 0.80 ADRB2 (0.44) TOP2ATOP2BKDM4EPIK3CAALDH1A1

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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