SCHEMBL11241744

SCHEMBL11241744

O=C(Nc1nc(-c2ccncc2)cs1)OCC(Cl)(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 15/20 0.54
ROCK2 O75116 8/20 0.54
WNT3A P56704 1/20 0.54
PRKACA P17612 2/20 0.53
PARP1 P09874 1/20 0.52
CLK1 P49759 1/20 0.52
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
Lotifazole SCHEMBL286772 0.90 ELOVL1 (0.56) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL11322732 0.89 ABL1 (0.61) ROCK1ROCK2MEN1ALDH1A1MAPT
SCHEMBL10962623 0.88 ROCK1 (0.50) ROCK1ROCK2WNT3APARP1MEN1
SCHEMBL10964259 0.85 MAPT (0.47) WNT3APARP1ALDH1A1MAPTKMT2A
SCHEMBL10962710 0.84 RAB9A (0.63) ROCK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10964529 0.84 RAB9A (0.57) CLK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10965815 0.83 RAB9A (0.46) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10965935 0.82 HDAC3 (0.57) ROCK1ROCK2MEN1ALDH1A1MAPT
SCHEMBL10965959 0.79 CFTR (0.49) ROCK1PARP1MEN1ALDH1A1MAPT
SCHEMBL10962624 0.79 KMT2A (0.63) MEN1ALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57118573-A None JP disclosed
JP-S57118573-A N-(2-THIAZOLYL)CARBAMATE DERIVATIVE, ITS PREPARATION, AND DRUG COMPOSITION COMPRISING IT MITSUI TOATSU CHEM INC 1982-07-23 JP disclosed