SCHEMBL13565356

SCHEMBL13565356

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 2/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.44
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 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
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
METTL3 Q86U44 1/20 0.41
METTL14 Q9HCE5 1/20 0.41

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
SCHEMBL13565856 0.98 LMNA (0.49) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL13565232 0.84 LMNA (0.52) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL13565293 0.82 LMNA (0.49) LMNAALDH1A1TSHRUSP2PKM
SCHEMBL13565981 0.81 GAA (0.53) LMNAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL11936018 0.80 USP2 (0.52) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL10116701 0.79 MEN1 (0.61) ALDH1A1PKMMAPTHPGDSMN1; SMN2
SCHEMBL13565715 0.78 GAA (0.48) LMNAALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL11936009 0.78 USP2 (0.49) LMNAALDH1A1TSHRUSP2MAPT
SCHEMBL10116685 0.78 KDM4E (0.57) ALDH1A1PKMMAPTSMN1; SMN2NPC1
SCHEMBL13566034 0.77 PKM (0.44) LMNAALDH1A1TSHRUSP2PKM

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