SCHEMBL17022425

SCHEMBL17022425

C=CCN(CC=C)c1cccc(NC(N)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 2/20 0.40
ALOX15 P16050 1/20 0.40
KIF11 P52732 1/20 0.40
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TGM2 P21980 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
PARP1 P09874 2/20 0.38
PARP15 Q460N3 2/20 0.38
PARP14 Q460N5 2/20 0.38
PARP10 Q53GL7 2/20 0.38

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
SCHEMBL7146940 0.85 POLB (0.49) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL11093327 0.83 PEPD (0.48) ALDH1A1GAAKIF11MAPTGFER
SCHEMBL11215796 0.82 KCNK3 (0.58) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL8942317 0.80 MAPT (0.54) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL11382511 0.79 RAB9A (0.49) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL33898 0.78 MAPT (0.57) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL29356607 0.78 MAPT (0.57) ALDH1A1MAPK1GAAALOX15MAPT
SCHEMBL11383193 0.77 POLB (0.43) ALDH1A1GAAMAPTSMN1; SMN2CYP1A2
SCHEMBL28229276 0.76 CRHBP (0.51) ALDH1A1GAAALOX15MAPTMEN1
SCHEMBL4864053 0.75 MAPT (0.37) ALDH1A1MAPTMEN1KMT2A

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
EP-2910608-B1 DIMERIC ANIONIC MONOAZO DYES ARCHROMA IP GMBH (CH) 2017-05-31 EP disclosed
WO-2015128081-A1 DIMERIC ANIONIC MONOAZO DYES ARCHROMA IP GMBH (CH) 2015-09-03 WO disclosed
EP-2910608-A1 Dimeric anionic monoazo dyes Archroma IP GmbH (CH) 2015-08-26 EP disclosed