SCHEMBL5733609

SCHEMBL5733609

CCOC(=O)c1cn(C2CC2)c2c(C)c(-c3cncc(C)c3)ccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ TOP2A P11388 5/20 0.38
▸ TOP2B Q02880 5/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.37
▸ MARK2 Q7KZI7 1/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ELANE P08246 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
SCHEMBL7691311 0.88 TOP2A (0.49) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5732980 0.88 ADRB2 (0.41) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5733843 0.88 TOP2A (0.49) TOP2ATOP2BKCNH2
SCHEMBL5734622 0.87 TOP2A (0.46) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5732806 0.86 ADRB2 (0.43) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5733232 0.86 TOP2A (0.48) ADRB2TDP1TOP2ATOP2B
SCHEMBL5732650 0.85 ADRB2 (0.43) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5744355 0.85 ADRB2 (0.42) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5733690 0.83 ADRB2 (0.43) ADRB2TDP1TOP2ATOP2BROCK2
SCHEMBL5732835 0.83 ADRB2 (0.44) ADRB2TDP1TOP2ATOP2BROCK2

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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