SCHEMBL11057571

SCHEMBL11057571

O=C(c1c(Br)c(C(=O)N(CCO)CCO)c(Br)c(C(=O)N(CCO)CCO)c1Br)N(CCO)CCO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
NTRK2 Q16620 1/20 0.31
ALPL P05186 1/20 0.30
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL12526252 0.88 POLB (0.38) POLBCA2CA12CA1CA9
SCHEMBL7525276 0.82 POLB (0.30) POLB
Iosimide SCHEMBL898150 0.75 CA2 (0.33) POLBCA2CA12CA1CA9
Iosimide SCHEMBL8845588 0.75 CA2 (0.33) POLBCA2CA12CA1CA9
SCHEMBL17305016 0.72 POLB (0.53) POLBCA2CA1TP53L3MBTL1
SCHEMBL23308705 0.70 TP53 (0.43) POLBCA2CA12CA1CA9
SCHEMBL7157289 0.70 ALDH1A1 (0.48) NTRK2L3MBTL1
SCHEMBL4345180 0.69
SCHEMBL622232 0.67 CA2 (0.35) POLBCA2NTRK2ALPL
SCHEMBL11372360 0.67 CA2 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474747-A BROMO-AND I/DO-BENZENE COMPOUNDS GUERBET S.A. (FR) 1984-10-02 US disclosed