SCHEMBL17101699

SCHEMBL17101699

O=S(=O)(NCc1ccc(B(O)O)cc1)c1cc(Cl)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
MAPT P10636 6/20 0.47
TP53 P04637 5/20 0.47
NR3C1 P04150 2/20 0.46
PGR P06401 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MCL1 Q07820 1/20 0.43
NR3C2 P08235 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 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
SCHEMBL17101827 0.88 NR3C2 (0.54) LMNAMAPTTP53NR3C1PGR
SCHEMBL17101688 0.86 LMNA (0.51) LMNAMAPTTP53NR3C1NR3C2
SCHEMBL17101682 0.82 LMNA (0.51) LMNAMEN1KMT2ANR3C2GAA
SCHEMBL17101795 0.80 CXCR4 (0.58) LMNANR3C1KMT2ANR3C2ALDH1A1
SCHEMBL30646271 0.80 ALPL (0.54) MAPTALDH1A1MAPK1
SCHEMBL29114612 0.80 ALPL (0.54) MAPTALDH1A1MAPK1
SCHEMBL17101704 0.79 ALDH1A1 (0.61) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL17101822 0.78 HSD11B1 (0.61) LMNAMAPTTP53MEN1KMT2A
SCHEMBL17101797 0.78 CXCR4 (0.52) MAPTTP53KMT2AMAPK1SMN1; SMN2
SCHEMBL17101702 0.78 HTT (0.46) LMNAMAPTTP53KMT2ANR3C2

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