SCHEMBL8067786

SCHEMBL8067786

CC(C)(C)OC(=O)C(C)(CCCCNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)C(=O)ON

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.42
ROCK1 Q13464 6/20 0.42
ACKR3 P25106 1/20 0.41
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 3/20 0.38
RAD52 P43351 1/20 0.38
GAA P10253 1/20 0.37
HPGDS O60760 1/20 0.37
CHEK1 O14757 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL7146118 0.88 ROCK2 (0.43) ROCK2ROCK1ACKR3HIF1ASMN1; SMN2
SCHEMBL7146110 0.88 ROCK2 (0.43) ROCK2ROCK1ACKR3HIF1ASMN1; SMN2
SCHEMBL7530941 0.83 MAPT (0.42) ROCK2ROCK1ACKR3HIF1ASMN1; SMN2
SCHEMBL8067790 0.81 ROCK2 (0.42) ROCK2ROCK1ACKR3HIF1ASMN1; SMN2
SCHEMBL7140708 0.80 ROCK2 (0.52) ROCK2ROCK1HIF1ASMN1; SMN2
SCHEMBL7138763 0.79 ITGB3 (0.52) ROCK2ROCK1ACKR3HDAC3HDAC1
SCHEMBL7137282 0.79 ITGB3 (0.52) ROCK2ROCK1ACKR3HDAC3HDAC1
SCHEMBL8067785 0.78 MAPT (0.49) ACKR3HDAC3HDAC1HDAC6GAA
SCHEMBL7143256 0.78 LMNA (0.51) ROCK2ROCK1HIF1ASMN1; SMN2HDAC3
SCHEMBL7137284 0.77 ROCK2 (0.41) ROCK2ROCK1ACKR3HIF1ASMN1; SMN2

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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed