SCHEMBL3979549

SCHEMBL3979549

O=C(c1cccs1)N(CCCN1CCCC1)c1nc(-c2cc(-c3ccccc3)no2)cs1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
TSHR P16473 7/20 0.54
LMNA P02545 3/20 0.54
HSD17B10 Q99714 2/20 0.54
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPK1 P28482 3/20 0.46
USP2 O75604 2/20 0.46
F2R P25116 5/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CXCR1 P25024 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL3973655 0.99 SMN1; SMN2 (0.58) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826602 0.93 SMN1; SMN2 (0.57) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826873 0.91 SMN1; SMN2 (0.70) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2827567 0.91 SMN1; SMN2 (0.56) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826872 0.90 SMN1; SMN2 (0.69) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2828631 0.88 SMN1; SMN2 (0.55) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3984042 0.87 SMN1; SMN2 (0.66) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826848 0.86 TSHR (0.64) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL4998654 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL18589275 0.86 SMN1; SMN2 (0.53) 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 2 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 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