SCHEMBL13626669

SCHEMBL13626669

CCC/C=C/c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.36
FBP1 P09467 2/20 0.35
JAK2 O60674 1/20 0.35
EGFR P00533 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1H2 P55055 1/20 0.31
TLR8 Q9NR97 1/20 0.31
NLRP3 Q96P20 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PDK1 Q15118 1/20 0.30
HTR7 P34969 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
SCHEMBL3311909 0.84
SCHEMBL3311901 0.84
SCHEMBL1989334 0.80
SCHEMBL15596290 0.76 HTR7 (0.35) RIOK2JAK2EGFRNLRP3HTR7
SCHEMBL15870899 0.76 RIOK2 (0.49) RIOK2FBP1JAK2EGFRSMN1; SMN2
SCHEMBL9110465 0.76
SCHEMBL9906042 0.76 RIOK2 (0.35) RIOK2FBP1JAK2EGFRALDH1A1
SCHEMBL18345734 0.73
SCHEMBL1986516 0.73
SCHEMBL6924130 0.73

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-2009137343-A1 THERAPEUTIC SUBSTITUTED HYDANTOINS, AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 WO disclosed