SCHEMBL28175342

SCHEMBL28175342

CCc1nnc(CCCCOCc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GLS O94925 8/20 0.44
GAA P10253 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 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
SCHEMBL17390834 0.79 GLS (0.48) L3MBTL1TDP1SMN1; SMN2GLSGAA
SCHEMBL2640223 0.74 TSHR (0.70) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL15480812 0.74 ALDH1A1 (0.52) GLSHPGDHSD17B10TSHR
SCHEMBL11925834 0.73 TSHR (0.44) L3MBTL1TDP1GLSHRH4HRH3
SCHEMBL3446778 0.72 TDP1 (0.75) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL20534698 0.72 TDP1 (0.75) L3MBTL1TDP1HRH4HRH3TSHR
SCHEMBL941253 0.72 TSHR (0.56) L3MBTL1TDP1HRH4HRH3HPGD
SCHEMBL9011734 0.72 TSHR (0.67) L3MBTL1TDP1SMN1; SMN2HRH4HRH3
SCHEMBL9011595 0.72 TSHR (0.67) L3MBTL1TDP1SMN1; SMN2HRH4HRH3
SCHEMBL9011624 0.72 TSHR (0.67) L3MBTL1TDP1SMN1; SMN2HRH4HRH3

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
CN-107074805-A GLS1 inhibitor for treating disease 德州大学系统董事会 2017-08-18 CN disclosed