SCHEMBL20111928

SCHEMBL20111928

CC1CC(S(=O)(=O)N2CCC(I)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
EPHX2 P34913 2/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL20111927 0.85 MEN1 (0.44) MEN1KMT2ATDP1LMNAMCOLN3
SCHEMBL8263008 0.72 MEN1 (0.47) MEN1KMT2ATDP1LMNAEPHX2
SCHEMBL15431984 0.72 TP53 (0.48) MEN1KMT2ALMNAEPHX2KDM4E
SCHEMBL20111642 0.69 TP53 (0.53) MEN1KMT2ATDP1LMNA
SCHEMBL15014594 0.68 MEN1 (0.48) MEN1KMT2ATDP1LMNAEPHX2
SCHEMBL8263019 0.67 EPHX2 (0.50) MEN1KMT2ATDP1LMNAEPHX2
SCHEMBL26793785 0.64 KMT2A (0.40) MEN1KMT2ATDP1LMNAEPHX2
SCHEMBL22174786 0.64 KMT2A (0.40) MEN1KMT2ATDP1LMNAEPHX2
SCHEMBL16905072 0.64 TP53 (0.41) LMNAKDM4EPOLB
SCHEMBL26176804 0.64 TP53 (0.41) LMNAKDM4EPOLB

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