SCHEMBL21048889

SCHEMBL21048889

CC(NC(=O)O)c1ccccc1N(C)S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
PHGDH O43175 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2634743 0.80 KMT2A (0.49) KMT2AALDH1A1POLBTSHRL3MBTL1
SCHEMBL2737231 0.77 KMT2A (0.47) KMT2AALDH1A1POLBTSHRL3MBTL1
SCHEMBL2635272 0.77 KMT2A (0.56) KMT2AALDH1A1POLBTSHRL3MBTL1
SCHEMBL16570031 0.74 KMT2A (0.45) KMT2AALDH1A1POLBTSHRL3MBTL1
SCHEMBL2634905 0.74 KMT2A (0.45) KMT2AALDH1A1POLBTSHRL3MBTL1
SCHEMBL11294913 0.72 ALDH1A1 (0.46) KMT2AALDH1A1MEN1HSD17B10SMN1; SMN2
SCHEMBL27244976 0.71 POLB (0.54) KMT2AALDH1A1POLBTSHRMEN1
Hydrochloric Acid SCHEMBL4329941 0.71 ALDH1A1 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5623571 0.71 POLB (0.54) KMT2AALDH1A1POLBTSHRMEN1
SCHEMBL25375819 0.69 GAA (0.50) KMT2AMEN1GAASMN1; SMN2

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