SCHEMBL30440736

SCHEMBL30440736

Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)Cc4ccc5c(c4)OCO5)sc3C)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 1.00
POLB P06746 2/20 1.00
MAFG O15525 1/20 1.00
HPGD P15428 1/20 1.00
NFE2L2 Q16236 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
LMNA P02545 5/20 0.87
HTT P42858 3/20 0.87
ALDH1A1 P00352 5/20 0.77
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
NT5E P21589 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
CFTR P13569 5/20 0.46
NR2F2 P24468 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL16085609 1.00 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL29419037 1.00 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085530 0.96 SMN1; SMN2 (0.92) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085439 0.94 SMN1; SMN2 (0.88) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085453 0.93 SMN1; SMN2 (1.00) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085434 0.93 SMN1; SMN2 (0.87) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085466 0.92 SMN1; SMN2 (0.85) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085431 0.92 SMN1; SMN2 (0.84) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085413 0.91 SMN1; SMN2 (0.86) SMN1; SMN2POLBMAFGHPGDNFE2L2
SCHEMBL16085432 0.91 SMN1; SMN2 (0.83) SMN1; SMN2POLBMAFGHPGDNFE2L2

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
EP-4203943-A1 1,2,4-TRIOXANE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME FOR USE IN THE PREVENTION AND TREATMENT OF CANCER ArtemiFlow GmbH (DE) 2023-07-05 EP claimed
EP-4203943-A1 1,2,4-TRIOXANE COMPOUNDS AND COMPOSITIONS COMPRISING THE SAME FOR USE IN THE PREVENTION AND TREATMENT OF CANCER ArtemiFlow GmbH (DE) 2023-07-05 EP disclosed