SCHEMBL28124691

SCHEMBL28124691

Oc1ccc(Cc2cncs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.48
ESR2 Q92731 2/20 0.48
LTA4H P09960 1/20 0.48
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KEAP1 Q14145 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 1/20 0.36
ABAT P80404 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTT P42858 1/20 0.35
ACACB O00763 1/20 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
SCHEMBL9710124 0.81 CYP3A4 (0.48) LTA4HPARP15PARP10TDP1SLC6A3
SCHEMBL28752735 0.81 EPHX2 (0.50) LTA4HLMNASLC6A3
SCHEMBL765420 0.81 SLC6A3 (0.51) LTA4HTDP1RAB9ANPC1LMNA
SCHEMBL9389496 0.80 SLC6A3 (0.49) LTA4HTDP1LMNASLC6A3
SCHEMBL24768074 0.77 SLC6A3 (0.55) LTA4HRAB9ANPC1LMNASMN1; SMN2
SCHEMBL9257429 0.77 HRH3 (0.49) LTA4HCYP19A1
SCHEMBL10824593 0.73 TBXAS1 (0.57) ESR1ESR2LTA4HRAB9ANPC1
SCHEMBL10824595 0.73 TBXAS1 (0.57) ESR1ESR2LTA4HRAB9ANPC1
SCHEMBL28150474 0.69 ALDH1A1 (0.47) RAB9ASLC6A3CYP3A4
SCHEMBL2969737 0.68 ESR1 (1.00) ESR1ESR2LTA4HTDP1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503856-B A kind of chromone substituted tetrahydrothiazole dione compounds and its application for treating diabetes medicament 重庆理工大学 2018-03-09 CN claimed
CN-1603323-A Process for preparing 5-[[4-[2-(5- ethyl-2- pyridyl) ethoxy] phenyl] methyl]-2,4- thiazolidinedione SHANDONG A & T PHARM CO LTD (CN) 2005-04-06 CN claimed
CN-105503856-B A kind of chromone substituted tetrahydrothiazole dione compounds and its application for treating diabetes medicament 重庆理工大学 2018-03-09 CN disclosed
CN-104522003-B Multifunctional biological agent used for crop acarid killing and deinsectization and preparation method and application thereof 何水德 2017-01-25 CN disclosed
CN-1603323-A Process for preparing 5-[[4-[2-(5- ethyl-2- pyridyl) ethoxy] phenyl] methyl]-2,4- thiazolidinedione SHANDONG A & T PHARM CO LTD (CN) 2005-04-06 CN disclosed