SCHEMBL28061019

SCHEMBL28061019

C=C(C)C(=O)NCC(N)[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL54007 0.78 TGFBR1 (0.38) TGFBR1TDP1KDM4EALDH1A1
SCHEMBL9759560 0.78 TGFBR1 (0.38) TGFBR1TDP1ALDH1A1
Bromide SCHEMBL6117874 0.77 TGFBR1 (0.35) TGFBR1KDM4EALDH1A1
SCHEMBL8184917 0.77 TGFBR1 (0.35) TGFBR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL452931 0.76 TGFBR1 (0.37) TGFBR1TDP1KDM4EALDH1A1
SCHEMBL10187391 0.74 GFPT1 (0.46) TGFBR1
SCHEMBL14341633 0.73 MAPT (0.39) TGFBR1KDM4EALDH1A1
SCHEMBL366427 0.73 CYP2D6 (0.52) TGFBR1TDP1KDM4EALDH1A1
SCHEMBL3738357 0.73 TGFBR1 (0.41) TGFBR1TDP1KDM4EALDH1A1
SCHEMBL97375 0.73 TGFBR1 (0.41) TGFBR1TDP1KDM4EALDH1A1

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-104114766-B System and method for improving paper and paperboard INNVENTIA AB (SE) 2016-06-01 CN claimed
CN-104114766-B System and method for improving paper and paperboard INNVENTIA AB (SE) 2016-06-01 CN disclosed