SCHEMBL2230089

SCHEMBL2230089

Cc1ccc(S(=O)(=O)n2cc(C=O)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
UBE2N P61088 1/20 0.48
HTR6 P50406 10/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TGM2 P21980 6/20 0.42
F13A1 P00488 3/20 0.42
HTR2C P28335 1/20 0.42
TGM1 P22735 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
BACE1 P56817 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL2229621 0.88 KDM4E (0.53) KDM4EUBE2NHTR6HTR2CHTR1D
SCHEMBL17422101 0.86 HTR6 (0.50) KDM4EUBE2NHTR6HTR2CHTR1D
SCHEMBL2230806 0.86 TGM2 (0.48) KDM4EUBE2NHTR6TGM2F13A1
SCHEMBL31298699 0.83 KDM4E (0.59) KDM4EUBE2NHTR6HTR2CHTR1D
SCHEMBL30689062 0.82 MEN1 (0.52) KDM4EUBE2NHTR6MEN1KMT2A
SCHEMBL29111257 0.82 MEN1 (0.52) KDM4EUBE2NHTR6MEN1KMT2A
SCHEMBL29176267 0.80 HTR6 (0.63) HTR6MEN1KMT2ADRD3
SCHEMBL5698323 0.79 HTR6 (0.54) HTR6TGM2F13A1GPR119BACE1
SCHEMBL17422096 0.79 HTR6 (0.52) KDM4EUBE2NHTR6MEN1KMT2A
SCHEMBL18690941 0.77 HTR6 (0.48) KDM4EUBE2NHTR6HTR2C

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
WO-2011088836-A1 NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
WO-2011088836-A1 NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
WO-2011088838-A1 NOVEL 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACEPHENANTHRYLENE DERIVATIVES AS DOPAMINE D2 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed