SCHEMBL7681072

SCHEMBL7681072

O=C(NCc1cccc(Cl)c1)Nc1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 19/20 0.81
ROCK2 O75116 18/20 0.81
SGK1 O00141 1/20 0.61
AKT1 P31749 1/20 0.61
GSK3B P49841 1/20 0.61
LIMK1 P53667 1/20 0.61
TNK2 Q07912 1/20 0.61
DMPK Q09013 1/20 0.61
MYLK Q15746 1/20 0.61
CDC42BPA Q5VT25 1/20 0.61
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL2554347 0.89 ROCK1 (1.00) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2753297 0.79 ALDH1A1 (0.67) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2557785 0.79 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL2561226 0.79 ROCK1 (0.81) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL23352214 0.78 ROCK1 (0.85) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2560201 0.78 ROCK1 (1.00) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL29431307 0.78 ROCK1 (1.00) ROCK1ROCK2SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL17836965 0.77 ROCK1 (0.98) ROCK1ROCK2SGK1AKT1GSK3B
Hydrochloric Acid SCHEMBL29633094 0.77 ROCK1 (0.98) ROCK1ROCK2SGK1AKT1GSK3B
SCHEMBL2559909 0.77 ROCK1 (1.00) ROCK1ROCK2SGK1AKT1GSK3B

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
US-6410533-B1 THERAPY FOR BACTERIA INFECTIONS GENZYME CORPORATION 2002-06-25 US disclosed