SCHEMBL5818142

SCHEMBL5818142

Cc1ccc2c(c1)COCN2C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.55
ROCK1 Q13464 11/20 0.55
PRKD3 O94806 3/20 0.48
PRKCG P05129 3/20 0.48
PRKCB P05771 3/20 0.48
CYP3A4 P08684 3/20 0.48
PRKCA P17252 3/20 0.48
PRKCH P24723 3/20 0.48
PRKCI P41743 3/20 0.48
PRKCE Q02156 3/20 0.48
PRKCQ Q04759 3/20 0.48
PRKCZ Q05513 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKD1 Q15139 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
PRKACA P17612 2/20 0.48
PRKACG P22612 2/20 0.48
PRKACB P22694 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4399490 0.84 HTR6 (0.62) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL5426418 0.81 FAAH (0.47) EPHX2
SCHEMBL5428689 0.80 ROCK2 (0.52) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL5428073 0.80 EPHX2 (0.43) EPHX2HTTHTR6
SCHEMBL5436208 0.77 MCOLN3 (0.51) EPHX2MEN1KMT2A
SCHEMBL5781996 0.76 HTR6 (0.40) CYP2C19EPHX2MEN1CLK1KMT2A
SCHEMBL5421773 0.75 MBTD1 (0.53) CYP3A4KDM4EEPHX2MEN1KMT2A
SCHEMBL5426865 0.75 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL5441500 0.75 MAPT (0.48) KDM4EMEN1KMT2AHTT
SCHEMBL5427869 0.75 HTR6 (0.54) EPHX2MEN1KMT2ASMN1; SMN2HTR6

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-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO disclosed