SCHEMBL11534203

SCHEMBL11534203

O=C(Nc1nccs1)C1CSc2sccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 4/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 3/20 0.42
GRM1 Q13255 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
LMNA P02545 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11535382 0.76 POLB (0.44) MEN1KMT2AHTTKDM4EGAA
SCHEMBL11533430 0.76 HPGD (0.40) HTTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL11533101 0.74 KMT2A (0.40) MEN1KMT2AHTTKDM4EGAA
SCHEMBL10388451 0.71 TDP1 (0.50) MEN1KMT2AGAANPC1CYP1A2
SCHEMBL11664943 0.71 NPC1 (0.31) HTTNPC1RAB9AALDH1A1
SCHEMBL913055 0.70 GRM1 (0.51) MEN1KMT2AKDM4EGAANPC1
SCHEMBL11840961 0.69 GAA (0.43) MEN1KMT2AHTTKDM4EGAA
SCHEMBL2654124 0.68 NPC1 (0.77) MEN1KMT2AHTTKDM4EGAA
SCHEMBL913936 0.68 KCNMA1 (0.48) MEN1KMT2AHTTKDM4EGAA
SCHEMBL913799 0.68 GAA (0.47) MEN1KMT2AHTTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4098794-A N-Thiazolyl-5,6-dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides WARNER-LAMBERT COMPANY (US) 1978-07-04 US claimed
US-4134896-A 5,6-Dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides, and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1979-01-16 US disclosed
US-4134900-A 5,6-Dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides, and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1979-01-16 US disclosed
US-4098794-A N-Thiazolyl-5,6-dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides WARNER-LAMBERT COMPANY (US) 1978-07-04 US disclosed
US-4098794-A N-Thiazolyl-5,6-dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides WARNER-LAMBERT COMPANY (US) 1978-07-04 US disclosed
US-4097441-A 5,6-Dihydro-4-oxo-4H-thieno 2,3-b!thiopyran-5-carboxamides WARNER-LAMBERT COMPANY (US) 1978-06-27 US disclosed
US-4092325-A 5,6-Dihydro-4-oxo-4H-thieno[2,3-b]thiopyran-5-carboxamides, and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1978-05-30 US disclosed