SCHEMBL28065487

SCHEMBL28065487

C=C(C)C(N)=O.N#CC#N

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 2/20 0.35
MCL1 Q07820 1/20 0.35
MAPK10 P53779 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.30
CRBN Q96SW2 1/20 0.30
CYP1A2 P05177 1/20 0.30
NFKB1 P19838 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 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
Acetonitrile SCHEMBL491140 0.91
Water SCHEMBL11248400 0.90
SCHEMBL1718040 0.88 TDP1 (0.67) TDP1LMNAALOX15BLMPMP22
Water SCHEMBL28881049 0.87
Water SCHEMBL3263657 0.87
SCHEMBL2128293 0.87 TDP1 (1.00) TDP1LMNAALOX15BLMPMP22
SCHEMBL5708652 0.87 TDP1 (1.00) TDP1LMNAALOX15BLMPMP22
SCHEMBL14870 0.87
Dimethylketone Cyanohydrin SCHEMBL686933 0.84 TDP1 (0.60) TDP1LMNAALOX15BLMPMP22
Acrylonitrile SCHEMBL8468763 0.84 TDP1 (0.60) TDP1LMNAALOX15BLMPMP22

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-102482619-B Cationic polymer thickeners S.P.C.M. S.A. (FR) 2016-04-20 CN claimed
CN-102482619-B Cationic polymer thickeners S.P.C.M. S.A. (FR) 2016-04-20 CN disclosed