SCHEMBL8556569

SCHEMBL8556569

CC(=O)c1[nH]c2cc(C(=O)NCc3ccccc3Cl)ccc2c1C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.57
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
CASP6 P55212 1/20 0.54
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPK3 P27361 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL8555167 0.85 ROCK2 (0.63) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL7707825 0.79 ROCK2 (0.57) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL8555308 0.79 ROCK2 (0.62) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL8555953 0.78 ROCK2 (0.56) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL8556812 0.77 ROCK2 (0.60) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL16377347 0.77 ROCK2 (1.00) ROCK2SMN1; SMN2MAPK1CASP6MAPK3
SCHEMBL17783613 0.76 ROCK2 (1.00) ROCK2SMN1; SMN2MAPK1CASP6MAPK3
SCHEMBL8554376 0.74 ROCK2 (0.56) ROCK2SMN1; SMN2LMNAMAPK1CASP6
SCHEMBL7701986 0.74 ROCK2 (0.54) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1
SCHEMBL18073895 0.74 ROCK2 (0.56) ROCK2SMN1; SMN2LMNAMAPK1ALDH1A1

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-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed