SCHEMBL21048903

SCHEMBL21048903

CCN(c1ccc(F)cc1CN)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP9 Q86TI2 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC6A4 P31645 3/20 0.38
MPO P05164 2/20 0.38
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
Hydrochloric Acid SCHEMBL21048830 0.82 HTT (0.40) TSHRMAPK1KDM4EKMT2AJAK2
SCHEMBL21048766 0.82 PSEN1 (0.44) TSHRKMT2AJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL21048963 0.81 PSEN1 (0.43) TSHRKMT2AJAK2JAK1TYK2
Hydrochloric Acid SCHEMBL21048779 0.80 CYP19A1 (0.41) DPP4DPP9DPP7SLC6A4MPO
Hydrochloric Acid SCHEMBL21048765 0.78 HTT (0.41) TSHRKDM4EALDH1A1HTT
SCHEMBL21048835 0.78 JAK2 (0.44) TSHRMAPK1KDM4EKMT2AJAK2
SCHEMBL1291494 0.78 ALDH1A1 (0.44) KMT2AHSD17B10JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL21048863 0.76 ALDH1A1 (0.43) KMT2AHSD17B10JAK2JAK1TYK2
SCHEMBL29907739 0.73 MPO (0.41) SLC6A4MPO
SCHEMBL240928 0.73 MPO (0.43) SLC6A4MPO

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
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed