SCHEMBL7780444

SCHEMBL7780444

Cc1ccc(S(=O)(=O)OCC2COc3cc([N+](=O)[O-])ccc3O2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRNB4 P30926 4/20 0.44
CHRNA3 P32297 4/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 5/20 0.41
PKM P14618 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA2 P00918 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3022285 0.96 PRMT5 (0.51) PRMT5WDR77MEN1KMT2ACHRNB4
SCHEMBL3029345 0.96 PRMT5 (0.51) PRMT5WDR77MEN1KMT2ACHRNB4
SCHEMBL10832816 0.87 CA2 (0.51) PRMT5WDR77MEN1KMT2ALMNA
SCHEMBL11102654 0.84 LMNA (0.48) PRMT5WDR77MEN1KMT2ALMNA
SCHEMBL6629428 0.83 CA2 (0.53) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL13646367 0.83 CA2 (0.53) LMNASMN1; SMN2ALDH1A1CA2CYP3A4
SCHEMBL1117923 0.83 CA2 (0.53) LMNASMN1; SMN2ALDH1A1CA2CYP3A4
SCHEMBL9369808 0.83 CA2 (0.53) LMNASMN1; SMN2MAPTALDH1A1L3MBTL1
SCHEMBL6973466 0.83 CA2 (0.57) PRMT5WDR77MEN1KMT2ALMNA
SCHEMBL6973472 0.83 CA2 (0.57) PRMT5WDR77MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841334-B1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO LTD (JP) 2001-10-04 EP disclosed
US-5780650-A Process for preparation of 1,4-benzodioxane derivative DAISO CO., LTD. (JP) 1998-07-14 US disclosed
EP-0841334-A1 PROCESS FOR PRODUCING 1,4-BENZODIOXANE DERIVATIVES DAISO CO., LTD. (JP) 1998-05-13 EP disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed