SCHEMBL24182074

SCHEMBL24182074

CC(=O)Nc1cccc2c1C(=O)N(CC[S+](C)[O-])C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ HPGD P15428 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MAOA P21397 1/20 0.46
▸ DDB1 Q16531 1/20 0.46
▸ CRBN Q96SW2 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CASP3 P42574 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ RPS6KA2 Q15349 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ USP2 O75604 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
SCHEMBL21335854 0.80 AHR (0.52) AHRHPGDMAPTMAOADDB1
SCHEMBL7794720 0.79 AHR (0.51) AHRHPGDMAPTMAOADDB1
SCHEMBL10913894 0.78 AHR (0.47) AHRHPGDMAPTMAOADDB1
SCHEMBL7015222 0.77 AHR (0.54) AHRHPGDMAPTMAOADDB1
SCHEMBL10909799 0.76 POLB (0.46) AHRHPGDMAPTMAOADDB1
SCHEMBL18826569 0.76 HPGD (0.71) AHRHPGDMAPTMAOADDB1
SCHEMBL26018662 0.75 AHR (0.47) AHRHPGDMAPTMAOADDB1
SCHEMBL18669039 0.74 SMN1; SMN2 (0.57) AHRHPGDMAPTMAOADDB1
SCHEMBL18669229 0.71 AHR (0.47) AHRHPGDMAPTMAOADDB1
SCHEMBL18669027 0.70 GRM5 (0.50) AHRHPGDMAPTALDH1A1KDM4E

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-2555769-B1 METHODS FOR TREATING RESPIRATORY VIRAL INFECTION AMGEN EUROPE GMBH (CH) 2022-01-12 — — EP disclosed
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