SCHEMBL8646299

SCHEMBL8646299

O=S(=O)([O-])CC(F)(F)F.c1ccc([S+](c2ccccc2)c2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
IDH2 P48735 3/20 0.33
ACP1 P24666 1/20 0.32
DHFR P00374 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
TSHR P16473 1/20 0.31
S1PR3 Q99500 1/20 0.31
TNK2 Q07912 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
SCHEMBL8649071 0.97 LMNA (0.36) MEN1KMT2ALMNAHTTIDH2
SCHEMBL8650252 0.96 MEN1 (0.34) MEN1KMT2AIDH2DHFRTSHR
SCHEMBL8645300 0.92 CXCR4 (0.34) MEN1KMT2ALMNAHTTIDH2
SCHEMBL8648781 0.91 DHFR (0.38) MEN1KMT2ALMNAHTTIDH2
SCHEMBL8651820 0.88 GAA (0.32) MEN1KMT2A
SCHEMBL8648970 0.88 TSHR (0.36) MEN1KMT2ALMNAHTTIDH2
SCHEMBL8645101 0.87 DHFR (0.40) MEN1KMT2AIDH2DHFRKDM4C
SCHEMBL8317952 0.87 MEN1 (0.38) MEN1KMT2ALMNAHTTACP1
SCHEMBL8649996 0.85 GAA (0.35) MEN1KMT2AHTT
SCHEMBL8649686 0.84 TSHR (0.38) MEN1KMT2ALMNAHTTIDH2

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