SCHEMBL5732797

SCHEMBL5732797

CCOC(=O)c1cn(C2CC2)c2c(C)c(-c3cc(C)nc(CN4C(=O)c5ccccc5C4=O)c3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 13/20 0.40
▸ TOP2B Q02880 13/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5733103 0.88 ADRB2 (0.42) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL5733232 0.88 TOP2A (0.48) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL5732622 0.87 ADRB2 (0.41) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL5733321 0.78 ADRB2 (0.45) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL5732650 0.78 ADRB2 (0.43) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL5734622 0.78 TOP2A (0.46) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL7691311 0.77 TOP2A (0.49) TOP2ATOP2BTDP1ADRB2ALDH1A1
SCHEMBL5734282 0.77 TOP2A (0.53) TOP2ATOP2B
SCHEMBL5733533 0.77 TOP2A (0.52) TOP2ATOP2B
SCHEMBL5733609 0.77 ADRB2 (0.44) TOP2ATOP2BTDP1ADRB2

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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