SCHEMBL8649487

SCHEMBL8649487

O=S(=O)(OS(c1ccccc1)(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
ENPP3 O14638 4/20 0.33
ENPP1 P22413 4/20 0.33
ALDH1A1 P00352 3/20 0.33
THRB P10828 1/20 0.33
ENPP2 Q13822 3/20 0.33
TNK2 Q07912 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ACP1 P24666 1/20 0.31
DHFR P00374 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
HSD11B1 P28845 1/20 0.30
CXCR4 P61073 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
SCHEMBL8647662 0.97 LMNA (0.37) LMNAMEN1KMT2AHTTENPP3
SCHEMBL8644633 0.96 MEN1 (0.33) LMNAMEN1KMT2AHTTENPP3
SCHEMBL8645085 0.91 DHFR (0.37) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL8645327 0.87 KAT6A (0.34) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL8317953 0.83 LMNA (0.37) LMNAMEN1KMT2AHTTENPP3
SCHEMBL8646303 0.80 MEN1 (0.36) LMNAMEN1KMT2AHTTENPP3
SCHEMBL8647661 0.79 ENPP3 (0.40) LMNAMEN1KMT2AHTTENPP3
SCHEMBL8323058 0.79 LMNA (0.40) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL8649486 0.77 MEN1 (0.34) LMNAMEN1KMT2AHTTTNK2
SCHEMBL8649073 0.77 LMNA (0.39) LMNAMEN1KMT2AHTTALDH1A1

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