SCHEMBL21048766

SCHEMBL21048766

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.44
PSEN2 P49810 4/20 0.44
APH1B Q8WW43 4/20 0.44
NCSTN Q92542 4/20 0.44
APH1A Q96BI3 4/20 0.44
PSENEN Q9NZ42 4/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.34
MAPT P10636 1/20 0.34

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 SCHEMBL21048963 0.98 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL21048830 0.82 HTT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21048903 0.82 DPP4 (0.42) ALDH1A1TSHRKMT2AHTTLMNA
SCHEMBL28131953 0.81 CYP19A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL17258727 0.80 KMT2A (0.41) ALDH1A1GAATSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL21048765 0.78 HTT (0.41) ALDH1A1GAAPOLBTSHRHTT
SCHEMBL21048821 0.78 ALDH1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1291494 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL21048863 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHTTLMNA
SCHEMBL18455873 0.75 ALDH1A1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A

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