SCHEMBL3199768

SCHEMBL3199768

C=CC(=O)NCc1c[nH]nn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 3/20 0.46
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FGFR4 P22455 7/20 0.34
FGFR1 P11362 4/20 0.33
FGFR2 P21802 3/20 0.33
FGFR3 P22607 3/20 0.33
CDK13 Q14004 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F13A1 P00488 1/20 0.32
LMNA P02545 1/20 0.32
TGM1 P22735 1/20 0.32
TGM3 Q08188 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 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
SCHEMBL29910189 0.77 ZDHHC20 (0.44) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL29299999 0.75 KDM4E (0.40) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL26077189 0.73 TGM2 (0.46) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL27176991 0.70 EGFR (0.43) TGM2F13A1LMNATGM1TGM3
SCHEMBL6269661 0.69
SCHEMBL2000713 0.69
SCHEMBL18285259 0.68 TGM2 (0.59) TGM2ALDH1A1TSHRMAPK1TDP1
SCHEMBL10193856 0.67 ALDH1A1 (0.68) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL30448897 0.67 ALDH1A1 (0.68) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL732934 0.66 TGM2 (0.81) TGM2ALDH1A1TSHRMAPK1TDP1

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
US-9039870-B2 Method for producing alkaline (meth)acrylamides CLARIANT FINANCE (BVI) LIMITED (VG) 2015-05-26 US disclosed
US-20100032284-A1 Method For Producing Alkaline (Meth)Acrylamides CLARIANT INTERNATIONAL LTD. (CH) 2010-02-11 US disclosed