SCHEMBL20111909

SCHEMBL20111909

CC(C)N1CC(S(=O)(=O)N2CCN(C)CC2C)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL20111634 0.89 SMYD3 (0.31) SMYD3
SCHEMBL21732717 0.80 HSD11B1 (0.32)
SCHEMBL20008977 0.76 HSD11B1 (0.34) SMYD3
SCHEMBL20111730 0.75 SMYD3 (0.30) SMYD3
SCHEMBL20111913 0.75 POLB (0.34)
SCHEMBL799217 0.72 TP53 (0.45) SMYD3
SCHEMBL799197 0.72 TP53 (0.45) SMYD3
SCHEMBL356809 0.72 TP53 (0.45) SMYD3
SCHEMBL20009061 0.68 TP53 (0.41)
SCHEMBL18133469 0.68 TP53 (0.41)

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-2018078360-A1 MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY E-THERAPEUTICS PLC (GB) 2018-05-03 WO disclosed