SCHEMBL17827164

SCHEMBL17827164

C/C=C\C=C(/C)CN(Cc1ccccc1)[C@@H]1CCC(C=O)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
G6PC1 P35575 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 4/20 0.30
KMT2A Q03164 4/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
GRIN2B Q13224 1/20 0.30
RAB9A P51151 1/20 0.30
KDM1A O60341 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
SCHEMBL4351032 0.80 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4G6PC1KDM4E
SCHEMBL1536105 0.80 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4G6PC1KDM4E
SCHEMBL1543222 0.74 G6PC1 (0.48) YTHDC1SLC6A2SLC6A4G6PC1MAPK1
SCHEMBL1543217 0.74 G6PC1 (0.48) YTHDC1SLC6A2SLC6A4G6PC1MAPK1
SCHEMBL1543221 0.74 G6PC1 (0.48) YTHDC1SLC6A2SLC6A4G6PC1MAPK1
SCHEMBL1543349 0.72 YTHDC1 (0.51) YTHDC1SLC6A2SLC6A4G6PC1KDM4E
SCHEMBL1543347 0.72 YTHDC1 (0.51) YTHDC1SLC6A2SLC6A4G6PC1KDM4E
SCHEMBL22659191 0.70 YTHDC1 (0.42) YTHDC1SLC6A2SLC6A4G6PC1KDM4E
SCHEMBL17827173 0.67 YTHDC1 (0.36) YTHDC1SLC6A2SLC6A4G6PC1MEN1
Formic Acid SCHEMBL28594706 0.67 YTHDC1 (0.43) YTHDC1SLC6A2SLC6A4G6PC1KDM4E

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
EP-3031324-A2 TRICYCLIC KINASE INHIBITORS AbbVie Inc. (US) 2016-06-15 EP disclosed