SCHEMBL8980658

SCHEMBL8980658

CS(=O)(=O)OCCN1COc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 7/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL9302379 0.92 MAOB (0.36) PKMTSHRMAOBPRMT5WDR77
SCHEMBL9304584 0.91 MAOB (0.37) PKMTSHRMAOBPRMT5WDR77
SCHEMBL9303640 0.84 KMT2A (0.36) TSHRALDH1A1
SCHEMBL9302635 0.83 MAOB (0.36) PKMMAOBALDH1A1
SCHEMBL9304354 0.82 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8980560 0.81 PKM (0.36) PKMTSHRMAOBPRMT5WDR77
Sinitrodil SCHEMBL503115 0.79 TSHR (0.34) PKMTSHRMAOBPRMT5WDR77
Sinitrodil SCHEMBL31066546 0.79 TSHR (0.34) PKMTSHRMAOBPRMT5WDR77
SCHEMBL8638816 0.79 ALDH1A1 (0.41) TSHRPRMT5WDR77ALDH1A1
SCHEMBL9809787 0.79 MEN1 (0.35) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed
US-5308844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT, ANALGESIC, HYPOTENSIVE AGENT PIERRE FABRE MEDICAMENT (FR) 1994-05-03 US disclosed