SCHEMBL20111927

SCHEMBL20111927

CC1CCN(S(=O)(=O)C2CC(C)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.42
MCOLN3 Q8TDD5 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 3/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
EBP Q15125 1/20 0.36
DHCR7 Q9UBM7 1/20 0.36
HPGD P15428 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
SCHEMBL8263008 0.86 MEN1 (0.47) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL20111928 0.85 MEN1 (0.33) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL15014594 0.82 MEN1 (0.48) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL8263019 0.80 EPHX2 (0.50) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL21732859 0.74 MEN1 (0.39) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL20111636 0.74 MCOLN3 (0.41) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL27329188 0.74 ALDH1A1 (0.42) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL12634 0.73 KDM4E (0.53) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL13621140 0.73 MEN1 (0.48) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL3021365 0.73 LMNA (0.50) MEN1KMT2ATDP1LMNAMCOLN3

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