SCHEMBL8649486

SCHEMBL8649486

O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccc(OC3CCCCO3)cc2)c2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
S1PR3 Q99500 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
IDH2 P48735 1/20 0.31
ACP1 P24666 1/20 0.31
TNK2 Q07912 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL8647660 0.97 MEN1 (0.34) MEN1KMT2AS1PR3LMNAHTT
SCHEMBL8644629 0.96 MEN1 (0.34) MEN1KMT2ATNK2DHFR
SCHEMBL8645137 0.92 CXCR4 (0.32) MEN1KMT2AS1PR3LMNAHTT
SCHEMBL8645082 0.91 DHFR (0.36) MEN1KMT2AS1PR3LMNAHTT
SCHEMBL8645325 0.88 S1PR3 (0.34) MEN1KMT2AS1PR3LMNAHTT
SCHEMBL8647852 0.87 DHFR (0.38) MEN1KMT2AS1PR3IDH2DHFR
SCHEMBL8317952 0.87 MEN1 (0.38) MEN1KMT2ALMNAHTTACP1
SCHEMBL8078914 0.84 HTT (0.36) MEN1KMT2ALMNAHTT
SCHEMBL8069549 0.84 HTT (0.36) MEN1KMT2ALMNAHTT
SCHEMBL13130990 0.84 MEN1 (0.39) MEN1KMT2AACP1TNK2DHFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed