SCHEMBL20111929

SCHEMBL20111929

CC1=CCN(S(=O)(=O)C2CCCN(C)C2)C(C)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.32
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL20111633 0.77 PIK3CA (0.32)
SCHEMBL25040749 0.65 SMN1; SMN2 (0.35) SMYD3
SCHEMBL8320328 0.65 SMN1; SMN2 (0.35) SMYD3
SCHEMBL25041101 0.65 SMN1; SMN2 (0.35) SMYD3
SCHEMBL25038513 0.64 APLNR (0.39) SMYD3
SCHEMBL25873244 0.64 LMNA (0.40) SMYD3
SCHEMBL13621107 0.64 APLNR (0.39) SMYD3
SCHEMBL24027196 0.64 SMN1; SMN2 (0.34) SMYD3
SCHEMBL25040313 0.64 APLNR (0.39) SMYD3
SCHEMBL19544971 0.63 SMYD3 (0.33) SMYD3

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