SCHEMBL5733582

SCHEMBL5733582

CCOC(=O)c1cn(C2CC2)c2c(C)c(-c3cnc(NC(C)=O)c(NC(C)=O)c3)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.42
▸ TOP2A P11388 3/20 0.37
▸ TOP2B Q02880 3/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL5733121 0.93 ADRB2 (0.42) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5732823 0.88 ADRB2 (0.42) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5733690 0.87 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL7840476 0.86 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5734316 0.85 KCNH2 (0.41) ADRB2TOP2ATOP2BTDP1ALDH1A1
SCHEMBL5732806 0.85 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5732650 0.83 ADRB2 (0.43) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5744355 0.83 ADRB2 (0.42) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5733609 0.82 ADRB2 (0.44) ADRB2TOP2ATOP2BTDP1RXFP1
SCHEMBL5732835 0.82 ADRB2 (0.44) ADRB2TOP2ATOP2BTDP1ALDH1A1

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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