SCHEMBL8650252

SCHEMBL8650252

O=S(=O)([O-])CC(F)(F)F.c1cc([S+](c2ccc(OC3CCCCO3)cc2)c2ccc(OC3CCCCO3)cc2)ccc1OC1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
IDH2 P48735 2/20 0.32
TNK2 Q07912 2/20 0.32
DHFR P00374 1/20 0.32
CXCR4 P61073 1/20 0.32
HSD11B1 P28845 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL8645300 0.96 CXCR4 (0.34) MEN1KMT2AIDH2CXCR4TSHR
SCHEMBL8646299 0.96 MEN1 (0.34) MEN1KMT2AIDH2TNK2DHFR
SCHEMBL8649071 0.92 LMNA (0.36) MEN1KMT2AIDH2CXCR4TSHR
SCHEMBL8651820 0.92 GAA (0.32) MEN1KMT2AHSD11B1
SCHEMBL8649996 0.88 GAA (0.35) MEN1KMT2ACXCR4
SCHEMBL8645101 0.87 DHFR (0.40) MEN1KMT2AIDH2DHFRHSD11B1
SCHEMBL8648781 0.86 DHFR (0.38) MEN1KMT2AIDH2DHFRHSD11B1
SCHEMBL8649686 0.83 TSHR (0.38) MEN1KMT2AIDH2DHFRHSD11B1
SCHEMBL8649667 0.83 DHFR (0.35) MEN1KMT2AIDH2DHFRHSD11B1
SCHEMBL8648970 0.83 TSHR (0.36) MEN1KMT2AIDH2DHFRTSHR

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