SCHEMBL8147011

SCHEMBL8147011

CNC(=O)c1sc(C(C)(C)C)cc1N(C(N)=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPK14 Q16539 6/20 0.41
RAF1 P04049 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 2/20 0.32
PIM1 P11309 1/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4426603 0.73 MAPK14 (0.53) MAPK14RAF1MAPTPKM
SCHEMBL3244311 0.70 MAPK14 (0.74) MAPK14RAF1SMN1; SMN2HTTMAPT
SCHEMBL7624240 0.69 RAF1 (0.40) MAPK14RAF1
SCHEMBL4429666 0.69 RAF1 (0.52) MAPK14RAF1
SCHEMBL28100026 0.67 TSHR (0.38) TSHRMAPK14ALDH1A1
SCHEMBL6049572 0.65 CYP17A1 (0.36) TSHRMAPK14RAF1SMN1; SMN2HTT
SCHEMBL1304994 0.65 PPARA (0.52) TSHRSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL13388895 0.65 MAPT (0.43) TSHRALDH1A1MAPTPKMMEN1
SCHEMBL3247521 0.65 MAPK14 (0.53) MAPK14RAF1ALDH1A1MAPT
SCHEMBL23537716 0.64 ALDH1A1 (0.50) TSHRSMN1; SMN2HTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP disclosed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP disclosed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO disclosed