SCHEMBL5957072

SCHEMBL5957072

Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc([N+](=O)[O-])c(CCCO)c3O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 8/20 0.35
LMNA P02545 6/20 0.35
PKM P14618 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA2 P00918 1/20 0.31
TXNRD1 Q16881 2/20 0.31

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
SCHEMBL6367075 0.91 PRMT5 (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL5957102 0.89 FFAR1 (0.35) PRMT5WDR77MAPTLMNAPKM
SCHEMBL7396212 0.88 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL5957059 0.88 MAPT (0.37) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4369825 0.86 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4363287 0.86 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL8223158 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL13481958 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4375214 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM
SCHEMBL4357751 0.85 PRMT5 (0.36) PRMT5WDR77MAPTLMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1726592-A1 Dioxino derivatives and their use as dopanine agonists Wyeth a Corporation of the State of Delaware (US) 2006-11-29 EP disclosed
EP-1375503-A1 Dioxino derivatives and their use as dopanine agonists Wyeth (US) 2004-01-02 EP disclosed
US-5962465-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-05 US disclosed
US-5756532-A Aminomethyl-2 3 8 9-tetrahydro-7H-1 4-dioxino 2 3-E!-indol-8-ones and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 US disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed