SCHEMBL28044035

SCHEMBL28044035

CS(=O)(=O)c1ccc(NBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.50
TGM2 P21980 1/20 0.48
ATM Q13315 1/20 0.44
PTGS2 P35354 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40

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
SCHEMBL25667539 0.80 ENPP2 (0.54) ENPP2TGM2ATMCA12CA1
SCHEMBL6807008 0.79 ENPP2 (0.48) ENPP2TGM2ATMPTGS2CA12
SCHEMBL2376239 0.79 ENPP2 (0.72) ENPP2PTGS2
SCHEMBL2017578 0.78 CA12 (0.64) ENPP2TGM2ATMPTGS2CA12
Hydrochloric Acid SCHEMBL6511659 0.77 ENPP2 (0.46) ENPP2TGM2ATMPTGS2CA12
SCHEMBL23129682 0.76 ENPP2 (0.50) ENPP2TGM2ATMPTGS2CA12
SCHEMBL2403487 0.76 ENPP2 (0.50) ENPP2TGM2ATMPTGS2CA12
SCHEMBL3377432 0.76 LMNA (0.52) CA12CA1CA2CA9
SCHEMBL486575 0.76 CA12 (0.64) ENPP2TGM2ATMPTGS2CA12
SCHEMBL27674146 0.76 ENPP2 (0.50) ENPP2TGM2ATMPTGS2CA12

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-105189504-A Fused tetracyclic bromodomain inhibitors ABBVIE INC 2015-12-23 CN disclosed
CN-105164130-A Dihydro-pyrrolopyridone bromodomain inhibitors ABBVIE INC 2015-12-16 CN disclosed