SCHEMBL10039293

SCHEMBL10039293

C=C(C)S/C(=C\C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 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
SCHEMBL15296931 0.71
SCHEMBL13149529 0.70 TDP1 (0.31) TDP1
SCHEMBL12168485 0.67
SCHEMBL28240336 0.66 TDP1 (0.75) TDP1LMNAALOX15BLMPMP22
Propene SCHEMBL28161236 0.66
Acetaldehyde SCHEMBL28054939 0.66
SCHEMBL10776638 0.64
SCHEMBL17051020 0.63
SCHEMBL2128293 0.63 TDP1 (1.00) TDP1LMNAALOX15BLMPMP22
SCHEMBL5708652 0.63 TDP1 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO disclosed