SCHEMBL2829451

SCHEMBL2829451

CN(C)S(=O)(=O)N1CCN(C(=O)CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
TSHR P16473 5/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALDH1A1 P00352 7/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 6/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 6/20 0.38
HTT P42858 4/20 0.38
MAPK1 P28482 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 4/20 0.38
PKM P14618 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2824848 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2832452 0.88 SMN1; SMN2 (0.52) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2826844 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830920 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2826835 0.85 SMN1; SMN2 (0.55) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2826518 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830432 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830248 0.84 SMN1; SMN2 (0.45) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830235 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2831404 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP claimed
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US claimed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP claimed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US claimed
EP-2620150-A2 2-Amido Thiazole Based Inhibitors of ATP-Utilizing Enyzmes Genentech, Inc. (US) 2013-07-31 EP disclosed
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP disclosed
EP-2168578-A2 2-Amido-Thiazole-Based Compounds Exhibiting ATP-Utilizing Enzyme Inhibitory Activity, and Compositions, and Uses Thereof Genentech, Inc. (US) 2010-03-31 EP disclosed