SCHEMBL5733103

SCHEMBL5733103

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.42
▸ TOP2A P11388 8/20 0.42
▸ TOP2B Q02880 8/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 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
SCHEMBL5733232 0.93 TOP2A (0.48) ADRB2TOP2ATOP2BTDP1MEN1
SCHEMBL5732622 0.92 ADRB2 (0.41) ADRB2TOP2ATOP2BTDP1MEN1
SCHEMBL5734282 0.89 TOP2A (0.53) TOP2ATOP2BKCNH2
SCHEMBL5732797 0.88 TOP2A (0.40) ADRB2TOP2ATOP2BTDP1MEN1
SCHEMBL5734622 0.84 TOP2A (0.46) ADRB2TOP2ATOP2BTDP1MAPK1
SCHEMBL5733321 0.83 ADRB2 (0.45) ADRB2TOP2ATOP2BTDP1MEN1
SCHEMBL5732650 0.83 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1MEN1
SCHEMBL9720466 0.82 TOP2A (0.45) ADRB2TOP2ATOP2BKMT2AALDH1A1
SCHEMBL5733533 0.81 TOP2A (0.52) TOP2ATOP2BKCNH2
SCHEMBL5733609 0.81 ADRB2 (0.44) ADRB2TOP2ATOP2BTDP1KCNH2

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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