SCHEMBL12909487

SCHEMBL12909487

Nc1cc(-c2c[nH]c(=O)c3ccccc23)ccc1N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
ROCK1 Q13464 2/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
NR3C1 P04150 1/20 0.41
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
GFER P55789 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GRIN2B Q13224 1/20 0.39
BRCA1 P38398 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL10149829 0.83 ROCK1 (0.60) GPR84ROCK1NR3C1PARP1MAPT
SCHEMBL7241763 0.72 MAPT (0.60) SLC6A2SLC6A4MAPTHTTSMN1; SMN2
SCHEMBL10149845 0.68 ROCK1 (0.56) ROCK1MAPTHTTSMN1; SMN2GAA
SCHEMBL18280142 0.68 SLC6A2 (0.54) SLC6A2SLC6A4MAPTHTTSMN1; SMN2
SCHEMBL10149810 0.67 GAA (0.60) ROCK1MAPTHTTSMN1; SMN2GAA
SCHEMBL1657138 0.67 ROCK2 (0.58) ROCK1MAPTGAATSHRALDH1A1
SCHEMBL1659090 0.66 KDM4E (0.55) ROCK1PARP1MAPTGAATSHR
SCHEMBL5378650 0.65 F2 (0.53) SLC6A4MAPTHTTSMN1; SMN2GFER
SCHEMBL1657432 0.64 KDM4E (0.52) ROCK1PARP1MAPTGAATSHR
SCHEMBL12909290 0.63 POLB (0.65) ROCK1MAPTHTTSMN1; SMN2GAA

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
WO-2011019400-A2 ENHANCEMENT OF CELLULAR TRANSPLANTATION USING SMALL MOLECULE MODULATORS HEPATOCYTE GROWTH FACTOR (SCATTER FACTOR) ACTIVITY ANGION BIOMEDICA CORP. (US) 2011-02-17 WO disclosed