SCHEMBL21048855

SCHEMBL21048855

CCN(c1ccc(C)cc1CNC(=O)O)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
PTGER1 P34995 2/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL21048835 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21048821 0.87 ALDH1A1 (0.49) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21048810 0.85 GAA (0.47) TP53NPC1RAB9AALDH1A1HTT
SCHEMBL21048857 0.85 HTT (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21048804 0.84 JAK2 (0.41) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21048880 0.83 ALDH1A1 (0.48) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21048978 0.83 TP53 (0.52) JAK2JAK1TYK2JAK3MEN1
SCHEMBL2181531 0.78 NPC1 (0.46) KMT2ANPC1RAB9AALDH1A1HTT
Hydrochloric Acid SCHEMBL21048830 0.77 HTT (0.40) JAK2JAK1TYK2JAK3MEN1
SCHEMBL21048873 0.76 JAK2 (0.46) JAK2JAK1TYK2JAK3MEN1

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