SCHEMBL2199349

SCHEMBL2199349

O=S(=O)(c1cc(CBr)cc(S(=O)(=O)C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PTPRZ1 P23471 1/20 0.41
LMNA P02545 3/20 0.36
EPAS1 Q99814 7/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
ESPL1 Q14674 1/20 0.34
POLB P06746 1/20 0.33
KIF11 P52732 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL31322495 0.89 EPAS1 (0.43) ALDH1A1PTPRZ1LMNAEPAS1ESPL1
SCHEMBL1334378 0.82 ALDH1A1 (0.54) ALDH1A1PTPRZ1LMNAEPAS1HTT
SCHEMBL31239593 0.81 ALDH1A1 (0.44) ALDH1A1PTPRZ1LMNAEPAS1ESPL1
SCHEMBL1604912 0.81 ALDH1A1 (0.44) ALDH1A1PTPRZ1LMNAEPAS1ESPL1
SCHEMBL1099385 0.79 PTPRZ1 (0.58) ALDH1A1PTPRZ1LMNAEPAS1HTT
SCHEMBL17057451 0.71 ALDH1A1 (0.45) ALDH1A1PTPRZ1LMNAEPAS1HTT
SCHEMBL2220389 0.71 SMN1; SMN2 (0.35) LMNASMN1; SMN2HTR2B
SCHEMBL13807378 0.71 ALDH1A1 (0.45) ALDH1A1PTPRZ1LMNAEPAS1HTT
SCHEMBL27703713 0.71 ALDH1A1 (0.42) ALDH1A1PTPRZ1LMNAEPAS1ESPL1
SCHEMBL8519013 0.69 ALDH1A1 (0.57) ALDH1A1PTPRZ1LMNAEPAS1HTT

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
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed