SCHEMBL14237341

SCHEMBL14237341

CC(C)(CC(=O)O)c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPK1 P28482 4/20 0.47
USP2 O75604 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 7/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
RAB9A P51151 1/20 0.39

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
SCHEMBL2827302 0.90 TSHR (0.46) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL2828495 0.87 KDM4E (0.51) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL14237377 0.85 TSHR (0.45) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL2830427 0.83 TSHR (0.50) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL3079579 0.82 TSHR (0.51) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL2826380 0.81 SMN1; SMN2 (0.67) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL3262775 0.81 TSHR (0.49) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL2830271 0.81 TSHR (0.56) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL2829861 0.80 SMN1; SMN2 (0.65) TSHRSMN1; SMN2MAPK1USP2NPSR1
SCHEMBL2829525 0.80 TSHR (0.61) TSHRSMN1; SMN2MAPK1USP2NPSR1

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