SCHEMBL5026645

SCHEMBL5026645

O=S(=O)(OS(=O)(=O)c1ccccc1Br)c1ccccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
PLCG1 P19174 1/20 0.56
MAPT P10636 1/20 0.43
AKR1B1 P15121 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.40
LOX P28300 1/20 0.40
POLB P06746 3/20 0.39
CA5A P35218 2/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL16467867 0.82 CA1 (0.56) CA1CA2CA4CA6PLCG1
SCHEMBL9281702 0.82 CA1 (0.56) CA1CA2CA4CA6PLCG1
SCHEMBL10849987 0.79 CA1 (0.52) CA1CA2CA4CA6PLCG1
SCHEMBL2475835 0.77 CA1 (0.68) CA1CA2CA4CA6PLCG1
SCHEMBL38660050 0.77 CA1 (0.68) CA1CA2CA4CA6PLCG1
SCHEMBL20414679 0.77 CA1 (0.50) CA1CA2CA4CA6PLCG1
SCHEMBL28859539 0.76 CA1 (0.53) CA1CA2CA4CA6PLCG1
SCHEMBL29750 0.75 CA1 (0.65) CA1CA2CA4CA6PLCG1
SCHEMBL30630011 0.75 CA2 (1.00) CA1CA2CA4CA6PLCG1
SCHEMBL344271 0.75 CA2 (1.00) CA1CA2CA4CA6PLCG1

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
WO-2021076821-A2 BRUSH PRODRUGS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-04-22 WO disclosed
EP-1937683-A1 METHOD FOR 1H-IMIDAZOÝ4,5-c¨PYRIDINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2008-07-02 EP disclosed
WO-2007035935-A1 METHOD FOR 1H-IMIDAZO[4,5-c]PYRIDINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-03-29 WO disclosed