SCHEMBL753923

SCHEMBL753923

N#Cc1ccc2ccc(CN3C(=O)COc4cc(NS(=O)(=O)c5ccccc5)ccc43)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
HPGD P15428 1/20 0.41
MAPT P10636 7/20 0.40
POLB P06746 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRPF1 P55201 3/20 0.39
BRD1 O95696 2/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
BRPF3 Q9ULD4 1/20 0.39
SMARCA2 P51531 1/20 0.39
AR P10275 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
SCHEMBL2266316 0.83 F10 (0.55) SCN9AITGB3ITGA2B
SCHEMBL753313 0.82 SCN9A (0.38) SCN9ALMNA
SCHEMBL2271019 0.78 SCN9A (0.60) SCN9AMAPTPOLBITGB3ITGA2B
SCHEMBL29226928 0.77 BRD4 (0.54) SCN9APOLBITGB3ITGA2BBRD4
SCHEMBL2268607 0.73 F10 (0.59) MAPTITGB3ITGA2B
SCHEMBL755818 0.73 SCN9A (0.56) SCN9AITGB3ITGA2BBRD4
SCHEMBL2269534 0.72 F10 (0.54) SCN9AITGB3ITGA2B
SCHEMBL8287673 0.71 ITGB3 (0.71) ITGB3ITGA2BBRD4
SCHEMBL2267015 0.70 LMNA (0.52) SCN9AMAPTPOLBITGB3ITGA2B
SCHEMBL25138290 0.69 ESR1 (0.50) ITGB3ITGA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP claimed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP claimed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed