SCHEMBL21048857

SCHEMBL21048857

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL21048855 0.85 JAK2 (0.44) HTTJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL21048830 0.81 HTT (0.40) HTTJAK2JAK1TYK2JAK3
SCHEMBL17258994 0.80 ALDH1A1 (0.42) HTTJAK2JAK1TYK2JAK3
SCHEMBL21048804 0.78 JAK2 (0.41) HTTJAK2JAK1TYK2JAK3
SCHEMBL22765684 0.71 KDM4E (0.49) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL20683120 0.71 KMT2A (0.46) ALDH1A1MEN1KMT2ATSHR
SCHEMBL21048821 0.71 ALDH1A1 (0.49) HTTJAK2JAK1TYK2JAK3
SCHEMBL21048835 0.71 JAK2 (0.44) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL21048914 0.71 PTK2 (0.44) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL21048876 0.69 PTK2 (0.43) JAK2JAK1TYK2JAK3ALDH1A1

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