SCHEMBL21048792

SCHEMBL21048792

CN(c1cccc(F)c1CNC(=O)O)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
JAK2 O60674 5/20 0.44
TYK2 P29597 5/20 0.44
JAK3 P52333 5/20 0.44
KMT2A Q03164 3/20 0.43
JAK1 P23458 3/20 0.42
MEN1 O00255 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTK2 Q05397 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX7 Q99572 1/20 0.38
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL17258893 0.77 ALDH1A1 (0.53) ALDH1A1JAK2KMT2AMEN1HSD17B10
SCHEMBL3557822 0.77 CYP1A2 (0.48) ALDH1A1KMT2AMEN1POLBP2RX7
Hydrochloric Acid SCHEMBL21048872 0.76 JAK2 (0.39) ALDH1A1JAK2TYK2JAK3KMT2A
SCHEMBL26519237 0.74 KMT2A (0.50) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL21048789 0.73 JAK2 (0.43) ALDH1A1JAK2TYK2JAK3KMT2A
SCHEMBL4681470 0.70 BDKRB1 (0.49)
SCHEMBL20957058 0.70 CYP1A2 (0.46) POLBP2RX7TSHR
Acetic Acid SCHEMBL1627732 0.69 KMT2A (0.41) ALDH1A1JAK2TYK2JAK3KMT2A
SCHEMBL21048880 0.69 ALDH1A1 (0.48) ALDH1A1JAK2TYK2JAK3KMT2A
SCHEMBL20238602 0.69 SCN8A (0.48) ALDH1A1P2RX7

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