SCHEMBL14237348

SCHEMBL14237348

CCC(C(=O)O)C1CCN(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 7/20 0.47
TSHR P16473 5/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KDM4E B2RXH2 6/20 0.37
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STAT1 P42224 1/20 0.33

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
SCHEMBL14237389 0.93 SMN1; SMN2 (0.43) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830432 0.88 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826835 0.86 SMN1; SMN2 (0.55) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2824848 0.86 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2831404 0.86 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830235 0.86 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826734 0.85 SMN1; SMN2 (0.45) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2832452 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830920 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826927 0.83 SMN1; SMN2 (0.46) 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 1 patent. 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