SCHEMBL13565293

SCHEMBL13565293

CC(C)(C)S(=O)(=O)Nc1ccc(CNc2ccc(N3CCCCC3=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
ALDH1A1 P00352 4/20 0.49
TSHR P16473 3/20 0.49
USP2 O75604 2/20 0.47
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 3/20 0.42
GALR3 O60755 1/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.41
AKR1C3 P42330 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL13565232 0.98 LMNA (0.52) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL13565856 0.84 LMNA (0.49) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL13565356 0.82 LMNA (0.52) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL13564990 0.81 GAA (0.47) LMNAALDH1A1TSHRL3MBTL1HTT
SCHEMBL11936009 0.80 USP2 (0.49) LMNAALDH1A1TSHRUSP2L3MBTL1
SCHEMBL10116370 0.80 MEN1 (0.57) ALDH1A1PKMMAPTSMN1; SMN2NPC1
SCHEMBL13565011 0.80 CA1 (0.53) LMNAALDH1A1USP2L3MBTL1HTT
SCHEMBL13565670 0.79 USP2 (0.43) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL11935323 0.78 GAA (0.45) LMNAALDH1A1TSHRL3MBTL1HTT
SCHEMBL11936018 0.78 USP2 (0.52) LMNAALDH1A1TSHRUSP2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed