SCHEMBL26930929

SCHEMBL26930929

COc1ccc([N+](=O)[O-])c(C#CCCNC(=O)O)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 18/20 0.48
▸ S1PR4 O95977 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ GSR P00390 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL30660331 0.86 TXNRD1 (0.44) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL26931313 0.78 TXNRD1 (0.52) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL16729351 0.76 TXNRD1 (0.51) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL621047 0.72 TXNRD1 (0.54) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL14800646 0.69 GAA (0.45) HTT
SCHEMBL16648934 0.69 TXNRD1 (0.53) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL1162351 0.68 TXNRD1 (0.52) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL4308799 0.68 MAPT (0.65) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL5832677 0.68 TXNRD1 (0.63) TXNRD1MAPTRAB9AGSR
SCHEMBL1428159 0.68 TXNRD1 (0.58) TXNRD1S1PR4MAPTS1PR1MAPK1

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-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 — — WO disclosed
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