SCHEMBL4964121

SCHEMBL4964121

O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)cc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KAT6A Q92794 2/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
EEF2K O00418 1/20 0.33
KCNN4 O15554 1/20 0.33

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
SCHEMBL4965540 0.81 GAA (0.42) KMT2ALMNAGAAHPGDHSD11B1
SCHEMBL4964655 0.81 GAA (0.42) KMT2ALMNAGAAHPGDHSD11B1
SCHEMBL4961648 0.81 CES2 (0.49) KMT2ALMNAGAAHTR2AHTR2C
SCHEMBL4961633 0.76 HSD11B1 (0.50) KMT2ALMNAHSD11B1NPC1HTT
SCHEMBL4962410 0.76 HPGD (0.50) KMT2ALMNAGAAHPGDKAT6A
SCHEMBL4963383 0.75 PKM (0.54) KMT2AGAAHPGDKAT6ANPC1
SCHEMBL2838650 0.74 NSD2 (0.51) KMT2ALMNAGAAHPGDRAB9A
SCHEMBL23497897 0.72 F2 (0.45) KMT2ALMNAGAANPC1RAB9A
SCHEMBL108999 0.72 LMNA (0.54) KMT2ALMNAHSD11B1SMN1; SMN2
SCHEMBL107075 0.72 ALDH1A1 (0.42) KMT2ALMNAHPGDNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP claimed
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 EP disclosed