SCHEMBL2827675

SCHEMBL2827675

COC(=O)CNC(=O)CCCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
TSHR P16473 5/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL2827626 0.95 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2829065 0.90 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830858 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2829170 0.87 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2831312 0.86 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL14237613 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2827673 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2826460 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2828078 0.85 ALDH1A1 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2848590 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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