SCHEMBL13565152

SCHEMBL13565152

CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
USP2 O75604 1/20 0.43
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
ABCC9 O60706 2/20 0.43
ABCC8 Q09428 2/20 0.43
KCNJ11 Q14654 2/20 0.43
KCNJ8 Q15842 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42
XBP1 P17861 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL17090001 1.00 LMNA (0.45) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL17090005 0.88 SMN1; SMN2 (0.53) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL13565315 0.88 SMN1; SMN2 (0.53) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL17089940 0.85 ALDH1A1 (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL13565597 0.85 ALDH1A1 (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL13439243 0.85 MEN1 (0.45) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL17089992 0.84 DDIT3 (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL13565738 0.84 DDIT3 (0.43) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL17089942 0.84 ALDH1A1 (0.41) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL13565473 0.84 ALDH1A1 (0.41) LMNAGAAMEN1KMT2AALDH1A1

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
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed