SCHEMBL7507103

SCHEMBL7507103

CCOC(=O)c1cn(C2CC2)c2c(F)c(Br)ccc2c1=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ TOP2A P11388 5/20 0.42
▸ TOP2B Q02880 5/20 0.42
▸ STAT3 P40763 2/20 0.42
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ KCNH2 Q12809 3/20 0.39

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
SCHEMBL5733629 0.89 ADRB2 (0.48) ADRB2TDP1LMNASTAT3KMT2A
SCHEMBL6783818 0.89 ADRB2 (0.59) ADRB2TDP1TOP2ATOP2BSTAT3
SCHEMBL7504273 0.87 ADRB2 (0.47) ADRB2TDP1LMNAKMT2AKCNH2
SCHEMBL7500713 0.86 ADRB2 (0.47) ADRB2TDP1LMNASTAT3KMT2A
SCHEMBL7496082 0.86 KCNH2 (0.48) ADRB2TDP1LMNAKMT2AKCNH2
SCHEMBL7599453 0.85 ADRB2 (0.65) ADRB2LMNATOP2ATOP2BSTAT3
SCHEMBL2081998 0.85 ADRB2 (0.45) ADRB2TDP1LMNASTAT3KMT2A
SCHEMBL9148042 0.84 ADRB2 (0.55) ADRB2TDP1TOP2ATOP2BSTAT3
SCHEMBL115123 0.83 ADRB2 (0.54) ADRB2TDP1TOP2ATOP2BSTAT3
SCHEMBL2844967 0.83 ADRB2 (0.68) ADRB2TOP2ATOP2BSTAT3HTT

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-0882725-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO LTD (JP) 2002-12-18 — — EP disclosed
US-6025370-A METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS TOYAMA CHEMICAL CO., LTD. (JP) 2000-02-15 — — US disclosed
EP-0882725-A1 QUINOLONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1998-12-09 — — EP disclosed
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