SCHEMBL10403452

SCHEMBL10403452

OC([C]=S)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.54
FDPS P14324 1/20 0.50
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
KDM4E B2RXH2 1/20 0.41
NAAA Q02083 1/20 0.41
HRH1 P35367 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 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
SCHEMBL31450615 0.81 PTPRA (0.54) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL28714934 0.81 PTPRA (0.54) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL198454 0.81 PTPRA (0.54) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL6921059 0.78 PTPRA (0.63) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL10403587 0.78 GRIN2D (0.56) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL10403994 0.75 GRIN2D (0.45) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL5762419 0.75 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL4028421 0.75 GRIN2D (0.61) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL7085644 0.75 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL7979864 0.75 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed