SCHEMBL21048852

SCHEMBL21048852

Cc1ccc(N(C)S(C)(=O)=O)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
PTK2 Q05397 2/20 0.42
HSPB1 P04792 1/20 0.40
JAK2 O60674 8/20 0.40
JAK1 P23458 8/20 0.40
TYK2 P29597 8/20 0.40
JAK3 P52333 8/20 0.40
KDM4A O75164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD9 Q9H8M2 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL21048804 0.86 JAK2 (0.41) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL12280397 0.84 KMT2A (0.47) ALDH1A1PTK2KDM4ATP53HSD17B10
SCHEMBL21048880 0.83 ALDH1A1 (0.48) ALDH1A1PTK2HSPB1JAK2JAK1
SCHEMBL21048954 0.81 LMNA (0.38) JAK2JAK1TYK2JAK3KDM4A
SCHEMBL5015072 0.79 NPC1 (0.54) ALDH1A1KDM4ANPSR1LMNATP53
SCHEMBL30004674 0.77 ALDH1A1 (0.46) ALDH1A1KDM4AGAABRD9BAZ2B
SCHEMBL30005739 0.76 KMT2A (0.50) ALDH1A1GAABRD9BAZ2BBAZ2A
SCHEMBL31705342 0.76 KDM4A (0.44) ALDH1A1KDM4AGAANQO2KCNA5
SCHEMBL13104124 0.76 KDM4A (0.44) JAK2JAK1KDM4AGAAKCNA5
SCHEMBL15171404 0.75 NPC1 (0.52) ALDH1A1KDM4AKCNA5

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