SCHEMBL8891206

SCHEMBL8891206

Cc1nc(C(N)=O)c(S(C)(=O)=O)o1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
IKBKB O14920 3/20 0.35
SLC9A1 P19634 10/20 0.34
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 4/20 0.33
JAK3 P52333 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8891477 0.89 SLC9A1 (0.31) SLC9A1
SCHEMBL8891675 0.83 PTGS2 (0.33) SLC9A1KDM4EALDH1A1
SCHEMBL6630014 0.81 FBP1 (0.36) POLBIKBKBSLC9A1JAK2JAK1
SCHEMBL8893238 0.79 NPSR1 (0.45) POLBKDM4EALDH1A1HSD17B10
SCHEMBL3742227 0.78 POLB (0.44) POLBIKBKBSLC9A1KDM4EALDH1A1
SCHEMBL8890199 0.73 IKBKB (0.61) IKBKBSLC9A1KDM4EALDH1A1PPARG
SCHEMBL13056617 0.71 IKBKB (0.38) POLBIKBKBKDM4EALDH1A1PPARG
SCHEMBL13056605 0.68 KDM4E (0.38) POLBIKBKBJAK2JAK1TYK2
SCHEMBL31008786 0.68 FBP1 (0.39) POLBIKBKBKDM4EALDH1A1PPARG
SCHEMBL6630011 0.67 IKBKB (0.45) IKBKBJAK2JAK1TYK2JAK3

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
WO-1997024340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed