SCHEMBL17101697

SCHEMBL17101697

O=S(=O)(NCc1ccc(B(O)O)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.51
NPY5R Q15761 2/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MMP7 P09237 1/20 0.47
NSD2 O96028 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
SLC22A12 Q96S37 1/20 0.44
CNR2 P34972 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
KEAP1 Q14145 1/20 0.42
PTGES O14684 1/20 0.42
KAT6A Q92794 1/20 0.41

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
SCHEMBL17101682 0.82 LMNA (0.51) NSD2CA12CA9MEN1KMT2A
SCHEMBL17101815 0.81 LMNA (0.43) NSD2SMN1; SMN2CA12CA9SLC22A12
SCHEMBL4636700 0.80 SMN1; SMN2 (0.57) NPY1RNPY5RPOLBRXFP1MMP7
SCHEMBL17101772 0.80 LMNA (0.52) POLBCA12CA9ALDH1A1LMNA
SCHEMBL17101701 0.80 NR3C2 (0.48) POLBHTTSMN1; SMN2CA12CA9
SCHEMBL30230094 0.79 NSD2 (0.57) NPY1RNPY5RPOLBRXFP1NSD2
SCHEMBL5167263 0.76 SMN1; SMN2 (0.56) NSD2SMN1; SMN2CA12CA9ALDH1A1
SCHEMBL17101757 0.76 MAPT (0.48) POLBSMN1; SMN2CA9LMNA
SCHEMBL17101690 0.73 CYP19A1 (0.46) POLBNSD2HTTSMN1; SMN2CA9
SCHEMBL5651347 0.73 KEAP1 (0.74) POLBHTTSMN1; SMN2CA12CA9

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