SCHEMBL27446752

SCHEMBL27446752

Cc1c(NS(C)(=O)=O)ccc2[nH]nnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
JAK2 O60674 3/20 0.40
JAK1 P23458 2/20 0.40
GLO1 Q04760 6/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
NR3C1 P04150 3/20 0.36
CKS1B P61024 2/20 0.36
SKP2 Q13309 2/20 0.36
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL27658617 0.75 IDO1 (0.34) AR
SCHEMBL102596 0.70 CBFB (0.37)
SCHEMBL27751481 0.69 BRD4 (0.44) HTT
Water SCHEMBL28270232 0.69 CBFB (0.36)
SCHEMBL283897 0.68
SCHEMBL3259924 0.67
SCHEMBL25672720 0.67 HRH4 (0.35)
SCHEMBL8622721 0.67 ADRB2 (0.33) HTT
SCHEMBL2291635 0.67 RPS6KA3 (0.44) JAK2
SCHEMBL6052024 0.67 MMP2 (0.59) GLO1ALOX15HTTCHEK1CDK8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1118797-A Embossing inhibitor ARMSTRONG WORLD IND INC (US) 1996-03-20 CN claimed
CN-1118797-A Embossing inhibitor ARMSTRONG WORLD IND INC (US) 1996-03-20 CN disclosed