SCHEMBL20111632

SCHEMBL20111632

CC(C)N1CCC(S(=O)(=O)N2CCN(C)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PIK3CA P42336 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
USP30 Q70CQ3 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDE5A O76074 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATM Q13315 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
SCHEMBL20111913 0.87 POLB (0.34) LMNAGAAPOLBAPOBEC3AAPOBEC3G
SCHEMBL20111628 0.83 MCOLN3 (0.40) JAK2JAK1PIK3CALMNAPOLB
SCHEMBL20111634 0.78 SMYD3 (0.31) JAK2JAK1PIK3CA
SCHEMBL20111953 0.77 SMYD3 (0.40) LMNAPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL24261284 0.76 PIK3CA (0.35) JAK2JAK1PIK3CA
SCHEMBL20711788 0.76 PIK3CA (0.35) JAK2JAK1PIK3CA
SCHEMBL12206044 0.76 PIK3CA (0.35) JAK2JAK1PIK3CA
SCHEMBL10192196 0.75 POLB (0.41) LMNAPOLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL20609751 0.74 PIK3CA (0.37) JAK2JAK1PIK3CA
SCHEMBL14883722 0.74 LMNA (0.44) LMNAGAAHRH3

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