SCHEMBL27826103

SCHEMBL27826103

OCCc1ccc(CCBr)nn1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.32
▸ CA2 P00918 2/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CCR1 P32246 2/20 0.30

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
SCHEMBL4278544 0.87 TDP1 (0.39) TDP1CA2CA12CA1CA9
SCHEMBL30942641 0.70 TKT (0.33) —
SCHEMBL1244949 0.67 CA2 (0.59) TDP1CA2CA12CA1CA9
SCHEMBL28749 0.65 — —
SCHEMBL467540 0.65 — —
SCHEMBL30942631 0.65 — —
SCHEMBL14967052 0.65 MAPK1 (0.42) —
SCHEMBL4269621 0.64 CCR1 (0.52) CCR1
SCHEMBL5650 0.64 GBA1 (0.42) —
SCHEMBL8824430 0.62 NOTUM (0.33) CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102336741-B Fluorine-18-marked myocardial perfusion developing agent and preparation method and application thereof UNIV BEIJING NORMAL 2013-04-10 — — CN disclosed
CN-102336741-A Fluorine-18-marked myocardial perfusion developing agent and preparation method and application thereof UNIV BEIJING NORMAL 2012-02-01 — — CN disclosed
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