SCHEMBL21048810

SCHEMBL21048810

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL21048892 0.86 PTGER1 (0.50) TSHRPOLB
SCHEMBL21048778 0.86 GAA (0.44) GAAHTTTP53SMN1; SMN2ALDH1A1
SCHEMBL21048855 0.85 JAK2 (0.44) HTTTP53ALDH1A1TSHRNPC1
SCHEMBL21048821 0.82 ALDH1A1 (0.49) GAAHTTTP53ALDH1A1TSHR
SCHEMBL21048835 0.82 JAK2 (0.44) TP53ALDH1A1TSHRNPC1RAB9A
SCHEMBL21048978 0.79 TP53 (0.52) GAATP53ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL21048765 0.78 HTT (0.41) GAAHTTALDH1A1TSHRPOLB
SCHEMBL21048834 0.78 TP53 (0.42) GAATP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL21048953 0.76 LMNA (0.53) SMN1; SMN2POLB
SCHEMBL20957057 0.72 HSD17B10 (0.46) GAAHTTTP53ALDH1A1TSHR

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