SCHEMBL20111636

SCHEMBL20111636

CC1CCN(S(=O)(=O)C2CN(C(C)C)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHCR7 Q9UBM7 1/20 0.34
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20111628 0.89 MCOLN3 (0.40) MCOLN3MEN1KMT2ATDP1LMNA
SCHEMBL21732885 0.81 CYP2D6 (0.47)
SCHEMBL20111913 0.79 POLB (0.34) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL8263008 0.78 MEN1 (0.47) MCOLN3MEN1KMT2ATDP1LMNA
SCHEMBL20111730 0.76 SMYD3 (0.30)
SCHEMBL24870380 0.75 EPHX2 (0.36)
SCHEMBL22174786 0.74 KMT2A (0.40) MCOLN3MEN1KMT2ATDP1LMNA
SCHEMBL10280126 0.74 KMT2A (0.40) MCOLN3MEN1KMT2ATDP1LMNA
SCHEMBL20111927 0.74 MEN1 (0.44) MCOLN3MEN1KMT2ATDP1LMNA
SCHEMBL26793785 0.74 KMT2A (0.40) MCOLN3MEN1KMT2ATDP1LMNA

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