SCHEMBL25921419

SCHEMBL25921419

CC(=O)Oc1ccc(CSc2nc(=O)ccn2CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 8/20 0.44
▸ PLA2G7 Q13093 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DAO P14920 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL25921941 0.90 PLA2G7 (0.42) PTGDR2PLA2G7ALDH1A1SMN1; SMN2DAO
SCHEMBL25921524 0.86 PLA2G7 (0.39) PTGDR2PLA2G7ALDH1A1SMN1; SMN2DAO
SCHEMBL25921417 0.84 PLA2G7 (0.41) PLA2G7SMN1; SMN2KMT2ATSHRHTT
SCHEMBL3541536 0.83 PLA2G7 (0.53) PTGDR2PLA2G7ALDH1A1KMT2A
SCHEMBL7593862 0.83 PTGDR2 (0.53) PTGDR2PLA2G7SMN1; SMN2KMT2AMAPT
SCHEMBL25921708 0.80 PLA2G7 (0.36) PTGDR2PLA2G7SMN1; SMN2DAOKMT2A
SCHEMBL26068381 0.77 PTGDR2 (0.46) PTGDR2ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL25921491 0.70 LMNA (0.41) ALDH1A1SMN1; SMN2DAOPOLBKMT2A
SCHEMBL3540781 0.69 PLA2G7 (0.59) PLA2G7
SCHEMBL3612929 0.68 PLA2G7 (0.58) PLA2G7

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
WO-2023140040-A1 AMIDITE MONOMER 国立大学法人東海国立大学機構 2023-07-27 — — WO disclosed
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