SCHEMBL8645327

SCHEMBL8645327

O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1cccc(OC2CCCO2)c1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 1/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 5/20 0.32
S1PR3 Q99500 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
TP53 P04637 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
THRB P10828 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
SCHEMBL8645085 0.97 DHFR (0.37) KAT6AMEN1LMNAHTTKMT2A
SCHEMBL8647662 0.90 LMNA (0.37) MEN1LMNAHTTKMT2ATSHR
SCHEMBL8649487 0.87 LMNA (0.34) MEN1LMNAHTTKMT2ADHFR
SCHEMBL8649233 0.84 TP53 (0.39) MEN1LMNAHTTKMT2ADHFR
SCHEMBL8319790 0.84 DDB1 (0.39) KAT6AMEN1LMNAHTTKMT2A
SCHEMBL8644633 0.82 MEN1 (0.33) MEN1LMNAHTTKMT2ADHFR
SCHEMBL8648971 0.81 TSHR (0.36) KAT6AMEN1LMNAHTTKMT2A
SCHEMBL8319160 0.81 HSD11B1 (0.41) KAT6AMEN1LMNAHTTKMT2A
SCHEMBL8648783 0.78 DHFR (0.39) KAT6AMEN1LMNAHTTKMT2A
SCHEMBL8649688 0.78 TSHR (0.38) MEN1LMNAHTTKMT2ADHFR

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