SCHEMBL17101682

SCHEMBL17101682

O=S(=O)(NCc1ccc(B(O)O)cc1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
GBA1 P04062 1/20 0.48
CA12 O43570 3/20 0.48
CA9 Q16790 3/20 0.48
NR3C2 P08235 1/20 0.47
NSD2 O96028 2/20 0.46
KEAP1 Q14145 1/20 0.45
KMT2A Q03164 3/20 0.44
CXCR4 P61073 1/20 0.43
TSHR P16473 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17101678 0.84 CA1 (0.45) LMNACA12CA9NSD2KEAP1
SCHEMBL17101795 0.83 CXCR4 (0.58) LMNACA9NR3C2NSD2KMT2A
SCHEMBL17101827 0.83 NR3C2 (0.54) LMNACA9NR3C2NSD2KMT2A
SCHEMBL17101701 0.83 NR3C2 (0.48) LMNACA12CA9NR3C2KEAP1
SCHEMBL17101772 0.83 LMNA (0.52) LMNACA12CA9NR3C2KEAP1
SCHEMBL17101697 0.82 NPY1R (0.51) LMNACA12CA9NSD2KEAP1
SCHEMBL17101699 0.82 LMNA (0.47) LMNANR3C2KMT2AMEN1GAA
SCHEMBL17101702 0.81 HTT (0.46) LMNANR3C2KMT2ACXCR4TSHR
SCHEMBL17101688 0.81 LMNA (0.51) LMNANR3C2TSHRL3MBTL1
SCHEMBL17101691 0.81 TRPV1 (0.40) LMNAGBA1KMT2ACA1CA2

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
WO-2015140566-A1 PYRAZOLO-PYRIMIDINES AS INHIBITORS OF BTK REDX PHARMA PLC (GB) 2015-09-24 WO disclosed