SCHEMBL4965151

SCHEMBL4965151

CN(C(=O)C(F)(F)F)C1CCc2c(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ccc(O)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.39
PGAM1 P18669 1/20 0.39
IDH1 O75874 5/20 0.38
KIF11 P52732 1/20 0.37
HTR6 P50406 1/20 0.37
QRFPR Q96P65 1/20 0.37
TGFBR1 P36897 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
P2RX1 P51575 1/20 0.36
USP30 Q70CQ3 2/20 0.36
BRD4 O60885 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL4504796 1.00 TP53 (0.41) TP53MCL1PGAM1IDH1KIF11
SCHEMBL4519658 0.88 HTR6 (0.52) TP53HTR6QRFPRTGFBR1
SCHEMBL4513894 0.85 HTR6 (0.41) TP53MCL1IDH1HTR6QRFPR
SCHEMBL4513888 0.85 HTR6 (0.41) TP53MCL1IDH1HTR6QRFPR
SCHEMBL4508915 0.84 TP53 (0.43) TP53MCL1PGAM1IDH1KIF11
SCHEMBL4530432 0.78 HTR6 (0.51) IDH1HTR6QRFPR
SCHEMBL4518652 0.69 HTR6 (0.50) HTR6QRFPRCA1CA2
SCHEMBL4519388 0.69 ADRA1A (0.51) KIF11HTR6QRFPR
SCHEMBL13889126 0.68 ALOX15 (0.42) IDH1HTR6QRFPRCA1CA2
SCHEMBL4519467 0.68 MEN1 (0.49) HTR6QRFPR

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-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed