SCHEMBL20111953

SCHEMBL20111953

CN1CCC(S(=O)(=O)N2CCN(C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 1/20 0.39
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.35
NCF1 P14598 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10192196 0.93 POLB (0.41) POLBAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL13841320 0.86 APOBEC3A (0.46) POLBAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL8220866 0.83 CA12 (0.46) SMYD3POLBL3MBTL1SMN1; SMN2TSHR
SCHEMBL18712998 0.83 ABL1 (0.38) SMYD3POLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL4193315 0.83 SMYD3 (0.39) SMYD3POLBAPOBEC3AAPOBEC3GMEN1
Hydrochloric Acid SCHEMBL4905850 0.81 TSHR (0.47) SMYD3POLBAPOBEC3AAPOBEC3GMEN1
SCHEMBL24477829 0.80 SMYD3 (0.38) SMYD3
SCHEMBL20111632 0.77 JAK2 (0.32) POLBAPOBEC3AAPOBEC3GMEN1KMT2A
SCHEMBL4327940 0.75 LMNA (0.48) SMYD3MEN1KMT2AL3MBTL1TSHR
SCHEMBL357188 0.75 NCF1 (0.37) MEN1KMT2AL3MBTL1NCF1

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