SCHEMBL3975585

SCHEMBL3975585

O=C(NCCCN(C(=O)c1cccs1)c1nc(-c2cc(-c3ccccc3)no2)cs1)C1CCCCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 8/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.38
GSTO1 P78417 1/20 0.36
CPB1 P15086 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34

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
SCHEMBL3977901 0.98 SMN1; SMN2 (0.51) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5001499 0.81 TSHR (0.48) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3974624 0.81 TSHR (0.48) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3984042 0.81 SMN1; SMN2 (0.66) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3982943 0.79 TSHR (0.51) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4995110 0.79 TSHR (0.51) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3979549 0.78 SMN1; SMN2 (0.59) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4996639 0.78 SMN1; SMN2 (0.51) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3976621 0.78 SMN1; SMN2 (0.51) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3976303 0.77 SMN1; SMN2 (0.60) TSHRLMNASMN1; SMN2HSD17B10ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057157-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF Genentech, Inc. (US) 2009-05-13 EP claimed
WO-2008022002-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2008-02-21 WO claimed
EP-2057157-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF Genentech, Inc. (US) 2009-05-13 EP disclosed
WO-2008022002-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2008-02-21 WO disclosed