SCHEMBL5733920

SCHEMBL5733920

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 8/20 0.45
▸ TOP2B Q02880 8/20 0.45
▸ PIK3CA P42336 3/20 0.42
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ KCNH2 Q12809 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL5733359 0.92 TOP2A (0.43) TOP2ATOP2BPIK3CAKCNH2KDM4E
SCHEMBL5733902 0.88 ADRB2 (0.44) TOP2ATOP2BPIK3CAKDM4EHCRTR1
SCHEMBL5732577 0.88 TOP2A (0.52) TOP2ATOP2BKCNH2KDM4EPOLB
SCHEMBL5733827 0.87 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4EPOLB
SCHEMBL5735858 0.86 TOP2A (0.46) TOP2ATOP2BKCNH2KDM4E
SCHEMBL5733481 0.86 TOP2A (0.45) TOP2ATOP2BPIK3CAKCNH2KDM4E
SCHEMBL5742293 0.84 PIK3CG (0.48) TOP2ATOP2BPIK3CAPRKAG1PRKAA1
SCHEMBL5732712 0.83 TOP2A (0.47) TOP2ATOP2BKCNH2KDM4EPOLB
SCHEMBL5732430 0.83 TOP2A (0.44) TOP2ATOP2BKCNH2KDM4E
SCHEMBL5732959 0.83 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EPOLB

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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