SCHEMBL5733690

SCHEMBL5733690

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TOP2A P11388 3/20 0.35
▸ TOP2B Q02880 3/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPA Q5VT25 1/20 0.35
▸ MARK2 Q7KZI7 1/20 0.35
▸ KCNH2 Q12809 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 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 0.92 ADRB2 (0.42) ADRB2TDP1RXFP1TOP2ATOP2B
SCHEMBL5732806 0.91 ADRB2 (0.43) ADRB2TDP1RXFP1TOP2ATOP2B
SCHEMBL7840476 0.91 ADRB2 (0.43) ADRB2TDP1RXFP1TOP2ATOP2B
Ozenoxacin SCHEMBL29379004 0.89 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4E
Ozenoxacin SCHEMBL1711829 0.89 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4E
SCHEMBL2553352 0.88 TOP2A (0.34) ADRB2TDP1TOP2ATOP2BKCNH2
Ozenoxacin SCHEMBL2553340 0.88 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4E
Ozenoxacin SCHEMBL2551660 0.88 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4E
Ozenoxacin SCHEMBL2551666 0.88 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4E
Ozenoxacin SCHEMBL2553345 0.88 TOP2A (0.45) TOP2ATOP2BKCNH2KDM4E

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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