SCHEMBL2826847

SCHEMBL2826847

CC(C)(C)C1CN(C(=O)CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)CCN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
TSHR P16473 5/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 7/20 0.38
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 7/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL14237313 0.89 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL14237307 0.85 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826844 0.84 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2824848 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830920 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826927 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2832452 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830452 0.82 SMN1; SMN2 (0.42) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2829235 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826518 0.81 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1

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
EP-2168578-B1 Thiazole based inhibitors of ATP-utilizing enzymes GENENTECH INC (US) 2012-12-19 EP 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 disclosed