SCHEMBL6561649

SCHEMBL6561649

CC([Al])Cc1ccccc1N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NSD2 O96028 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CHEK1 O14757 1/20 0.34
NEK2 P51955 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
GLI1 P08151 1/20 0.34

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
SCHEMBL13233313 0.83 GABRA1 (0.48) ARMAPTALDH1A1GAATP53
SCHEMBL8567646 0.80 ALDH1A1 (0.39) ARMAPTALDH1A1GAATP53
SCHEMBL26306997 0.80 AR (0.36) ARMAPTALDH1A1GAATP53
SCHEMBL10358530 0.78 TAAR1 (0.52) ARCYP2D6
SCHEMBL6904054 0.74 ALDH1A1 (0.40) ARMAPTALDH1A1GAATP53
SCHEMBL31112181 0.74 ALDH1A1 (0.40) ARMAPTALDH1A1GAATP53
SCHEMBL3871304 0.73 AR (0.50) ARMAPTALDH1A1GAATP53
SCHEMBL29408555 0.73 AR (0.50) ARMAPTALDH1A1GAATP53
SCHEMBL28341253 0.73 ALDH1A1 (0.37) ARMAPTALDH1A1GAATP53
SCHEMBL11861093 0.73 TRPA1 (0.41) ARMAPTALDH1A1GAATP53

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-1132409-B1 Catalyst systems for the Ziegler-Natta-Olefin-Polymerisation MERCK PATENT GMBH (DE) 2004-06-30 EP claimed