SCHEMBL14237293

SCHEMBL14237293

CC(NC(=O)CCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.49
TSHR P16473 4/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
STAT1 P42224 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HPGD P15428 3/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 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
SCHEMBL2828550 0.90 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830258 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826946 0.84 SMN1; SMN2 (0.54) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2829864 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2827626 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830313 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2828078 0.83 ALDH1A1 (0.49) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830418 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830244 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2829408 0.81 SMN1; SMN2 (0.55) 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