SCHEMBL21048978

SCHEMBL21048978

CCN(c1ccccc1CNC(=O)O)S(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGER1 P34995 3/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
TYK2 P29597 4/20 0.42
JAK3 P52333 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL17258939 0.89 TP53 (0.50) TP53NPC1RAB9APTGER1KMT2A
SCHEMBL21048854 0.89 PTGER1 (0.44) TP53NPC1RAB9APTGER1KMT2A
SCHEMBL28840926 0.87 TP53 (0.48) TP53NPC1RAB9APTGER1KMT2A
SCHEMBL21048855 0.83 JAK2 (0.44) TP53NPC1RAB9APTGER1KMT2A
SCHEMBL17258893 0.82 ALDH1A1 (0.53) TP53KMT2AMEN1JAK2ALDH1A1
SCHEMBL17258994 0.82 ALDH1A1 (0.42) TP53NPC1RAB9AKMT2AMEN1
SCHEMBL21048808 0.82 TP53 (0.44) TP53NPC1RAB9APTGER1KMT2A
SCHEMBL21048835 0.81 JAK2 (0.44) TP53NPC1RAB9APTGER1KMT2A
SCHEMBL21048821 0.81 ALDH1A1 (0.49) TP53KMT2AMEN1JAK2JAK1
SCHEMBL19337065 0.80 ALDH1A1 (0.47) TP53KMT2AMEN1JAK2JAK1

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