SCHEMBL28453043

SCHEMBL28453043

Cc1ncsc1C(COC=O)c1cccs1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CACNA2D1 P54289 2/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL27743650 0.84 SLC6A3 (0.43) SLC6A3KDM4EPKM
SCHEMBL28036657 0.81 SLC6A3 (0.35) SLC6A3
SCHEMBL28036227 0.80 SLC6A3 (0.34) SLC6A3KDM4EPKM
SCHEMBL9051451 0.79 KDM4E (0.38) SLC6A3MEN1LMNAMAPTKMT2A
SCHEMBL28036653 0.79 P2RX7 (0.35) SLC6A3
SCHEMBL28036656 0.79 SLC6A3 (0.36) SLC6A3MAPT
SCHEMBL28036225 0.79 P2RX7 (0.35) SLC6A3
SCHEMBL27764214 0.78 SLC6A3 (0.33) SLC6A3MEN1LMNAKMT2A
SCHEMBL27741460 0.78 LY96 (0.34) SLC6A3KDM4EPKM
SCHEMBL27743460 0.78 SLC6A3 (0.33) SLC6A3

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-107151243-B 2-substituted-4-methyl-5- (4, 5-dihydrothiazole-2-yl) -1, 3-thiazole compounds, preparation method and biological activity evaluation thereof 江苏海洋大学 2020-09-08 CN disclosed