SCHEMBL11118314

SCHEMBL11118314

CCCN(C)C(=O)Nc1cc(C(C)CC)ns1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL11123116 0.93 CSNK2A2 (0.33) HDAC3HDAC1HDAC2SMARCA2SMARCA4
SCHEMBL11121478 0.90 SMARCA2 (0.34) SMARCA2SMARCA4
SCHEMBL11122319 0.90 HDAC3 (0.40) HDAC3HDAC1HDAC2SMARCA2SMARCA4
SCHEMBL11115792 0.84 SMARCA2 (0.34) SMARCA2SMARCA4MAPT
SCHEMBL11117809 0.83 NPY5R (0.42) SMARCA2SMARCA4
SCHEMBL11127363 0.83 ABCC1 (0.40) SMARCA2SMARCA4
SCHEMBL11118646 0.82 MEN1 (0.37) SMARCA2SMARCA4MAPT
SCHEMBL11122300 0.81 SMARCA2 (0.34) SMARCA2SMARCA4MAPT
SCHEMBL11123858 0.81 HDAC3 (0.37) HDAC3HDAC1HDAC2MAPT
SCHEMBL11118756 0.79 SMARCA2 (0.33) SMARCA2SMARCA4MAPT

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-0129408-A2 (3-alkyl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP disclosed