SCHEMBL6476587

SCHEMBL6476587

O=S(=O)(Nc1ccc2c(c1)C(C1CCNCC1)CCO2)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HSD17B2 P37059 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.44
HTR6 P50406 3/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN5 P54829 2/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42

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
SCHEMBL4486179 0.86 HTR6 (0.55) MAPTKMT2ATSHRHTR6LMNA
SCHEMBL6472057 0.86 PKM (0.45) MAPTKMT2AHTR6PGRLMNA
SCHEMBL6475761 0.82 ESR1 (0.46) MAPTKMT2AHTR6LMNASMN1; SMN2
SCHEMBL6473187 0.81 MAPT (0.54) MAPTKMT2AHTR6LMNASMN1; SMN2
SCHEMBL4784539 0.78 MAPT (0.80) MAPTHSD17B2KMT2ATSHRNR3C1
SCHEMBL6472087 0.75 HTR6 (0.76) MAPTHSD17B2KMT2ATSHRHTR6
SCHEMBL13506866 0.74 HTR2C (0.43) HTR6SCN5ASCN9A
SCHEMBL5781608 0.71 HTR6 (0.69) MAPTHSD17B2KMT2ATSHRHTR6
SCHEMBL4195878 0.71 NR3C1 (0.54) MAPTHSD17B2TSHRHTR6NR3C1
SCHEMBL4195874 0.71 NR3C1 (0.54) MAPTHSD17B2TSHRHTR6NR3C1

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
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO claimed
WO-2005037830-A1 PIPERIDINYLCHROMEN-6-YLSULFONAMIDE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-04-28 WO disclosed