SCHEMBL30423980

SCHEMBL30423980

Cc1cc(=O)[nH]c(=S)n1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GRIA1 P42261 3/20 0.43
GRIA2 P42262 3/20 0.43
GRIA3 P42263 3/20 0.43
GRIA4 P48058 3/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
LMNA P02545 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MPO P05164 3/20 0.39
TYMP P19971 1/20 0.39
TPO P07202 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.37

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
SCHEMBL4889955 0.83 TYMP (0.47) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11503765 0.72 LMNA (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL19788134 0.72 ALDH1A1 (0.51) ALDH1A1LMNAMPOKDM4EMAPT
SCHEMBL9379061 0.71 MAPK10 (0.50) ALDH1A1KDM4EMAPTKMT2A
SCHEMBL19906974 0.69 ALDH1A1 (0.40) ALDH1A1GRIN1GRIN2BMTNR1AMTNR1B
SCHEMBL14936538 0.69 MPO (0.82) ALDH1A1GRIN1GRIN2BMPOTPO
SCHEMBL19464477 0.69 ALDH1A1 (0.53) ALDH1A1TYMPKDM4EMAPTKMT2A
SCHEMBL4592075 0.68 KDM4E (0.49) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8768819 0.66 TYMP (0.44) ALDH1A1TYMPKDM4EMAPTKMT2A
SCHEMBL7962149 0.66 ALDH1A1 (0.58) ALDH1A1GRIA1GRIA2GRIA3GRIA4

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
EP-4182736-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-05-24 EP disclosed