SCHEMBL14845210

SCHEMBL14845210

C=C(C)C(=O)NC(=CC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 1/20 0.31
TAS2R38 P59533 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
SCHEMBL7748221 0.77 CRBN (0.50) TDP1CRBNTAS2R38
SCHEMBL6021242 0.75 TDP1 (0.60) TDP1CRBNALDH1A1TGFBR1TAS2R38
SCHEMBL4754573 0.75 TDP1 (0.52) TDP1CRBNALDH1A1TGFBR1TAS2R38
SCHEMBL203009 0.74
SCHEMBL7171041 0.72 ALDH1A1 (0.45) TDP1CRBNALDH1A1TGFBR1TAS2R38
SCHEMBL78126 0.72 ALDH1A1 (0.45) TDP1CRBNALDH1A1TGFBR1TAS2R38
SCHEMBL13467979 0.72 ALDH1A1 (0.36) TDP1ALDH1A1TGFBR1
SCHEMBL23374587 0.70
SCHEMBL2169758 0.70 ALDH1A1 (0.35) TDP1ALDH1A1TGFBR1
Hydrochloric Acid SCHEMBL28803976 0.68 TDP1 (0.43) TDP1CRBNALDH1A1TGFBR1TAS2R38

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
CN-104684998-B Method for producing rubber composition 日本瑞翁株式会社 2017-04-12 CN disclosed
EP-2764041-A1 ION EXCHANGE COMPOSITIONS, METHODS FOR MAKING AND MATERIALS PREPARED THEREFROM General Electric Company (US) 2014-08-13 EP disclosed
WO-2013052227-A1 ION EXCHANGE COMPOSITIONS, METHODS FOR MAKING AND MATERIALS PREPARED THEREFROM GENERAL ELECTRIC COMPANY (US) 2013-04-11 WO disclosed