SCHEMBL4965455

SCHEMBL4965455

COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@H](C(F)C(N)=O)C2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.64
QRFPR Q96P65 1/20 0.64
ALDH1A1 P00352 4/20 0.45
TP53 P04637 2/20 0.45
WDR5 P61964 3/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ACLY P53396 2/20 0.41
MYC P01106 1/20 0.41
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
IDH1 O75874 1/20 0.39

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
SCHEMBL4505443 0.82 HTR6 (0.74) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4966544 0.82 HTR6 (0.74) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4509755 0.80 HTR6 (0.71) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4515515 0.79 HTR6 (0.73) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4522178 0.79 HTR6 (0.64) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4505107 0.79 HTR6 (0.64) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4961410 0.78 HTR6 (1.00) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4529672 0.78 HTR6 (1.00) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4521081 0.78 HTR6 (1.00) HTR6QRFPRALDH1A1TP53WDR5
SCHEMBL4513947 0.77 HTR6 (0.67) HTR6QRFPRALDH1A1TP53WDR5

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