SCHEMBL4727409

SCHEMBL4727409

CCCCCCN(C)C1CCCN(S(=O)(=O)c2cccc3c(Cl)nc(I)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ROCK2 O75116 6/20 0.43
ROCK1 Q13464 6/20 0.43
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.35
CHRM1 P11229 1/20 0.35
RORC P51449 1/20 0.35
ATM Q13315 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5086561 0.86 POLB (0.54) POLBROCK2ROCK1TP53KMT2A
SCHEMBL7319387 0.79 ROCK2 (0.68) POLBROCK2ROCK1KMT2ACHRM1
SCHEMBL4725783 0.72 TP53 (0.37) ROCK2ROCK1TP53KMT2ABRD4
SCHEMBL4782719 0.70 POLB (0.51) POLBROCK2ROCK1TP53KMT2A
SCHEMBL5083135 0.69 CHRM1 (0.43) POLBROCK2ROCK1TP53KMT2A
SCHEMBL5086179 0.68 ROCK2 (0.81) ROCK2ROCK1TP53KMT2ACHRM1
SCHEMBL4726186 0.64 CHRM1 (0.47) POLBROCK2ROCK1TP53KMT2A
SCHEMBL4726515 0.63 ROCK2 (0.68) ROCK2ROCK1TP53KMT2ACHRM1
SCHEMBL4782353 0.62 CHRM1 (0.52) POLBROCK2ROCK1TP53KMT2A
SCHEMBL7317880 0.62 CHRM1 (0.54) POLBROCK2ROCK1TP53KMT2A

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-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed