SCHEMBL13565232

SCHEMBL13565232

CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(N3CCCC3=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.52
USP2 O75604 2/20 0.49
PKM P14618 1/20 0.47
HTT P42858 3/20 0.45
GALR3 O60755 1/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 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
SCHEMBL13565293 0.98 LMNA (0.49) LMNATSHRALDH1A1USP2PKM
SCHEMBL13565356 0.84 LMNA (0.52) LMNATSHRALDH1A1USP2PKM
SCHEMBL13565856 0.82 LMNA (0.49) LMNATSHRALDH1A1USP2PKM
SCHEMBL13564990 0.81 GAA (0.47) LMNATSHRALDH1A1HTTMAPT
SCHEMBL11936018 0.80 USP2 (0.52) LMNATSHRALDH1A1USP2HTT
SCHEMBL13565011 0.80 CA1 (0.53) LMNAALDH1A1USP2HTTMAPT
SCHEMBL10116396 0.79 MEN1 (0.61) TSHRALDH1A1PKMMAPTL3MBTL1
SCHEMBL11935323 0.78 GAA (0.45) LMNATSHRALDH1A1HTTMAPT
SCHEMBL11936009 0.78 USP2 (0.49) LMNATSHRALDH1A1USP2MAPT
SCHEMBL10116370 0.78 MEN1 (0.57) ALDH1A1PKMMAPTSMN1; SMN2NPC1

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