SCHEMBL9540307

SCHEMBL9540307

FC(F)(F)c1cccc(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.47
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.40
ACP3 P15309 1/20 0.40
TTR P02766 1/20 0.39
PIM1 P11309 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
P4HB P07237 1/20 0.39

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
SCHEMBL9541838 0.86 IDO1 (0.44) FBP1NFE2L2MEN1KMT2ANPC1
SCHEMBL9539528 0.80 ALDH1A1 (0.48) FBP1NPC1RAB9AMAOBTSHR
SCHEMBL7435417 0.76 NFE2L2 (0.53) FBP1NFE2L2MEN1KMT2ANPC1
SCHEMBL3904046 0.76 NFE2L2 (0.73) FBP1NFE2L2MEN1KMT2ANPC1
SCHEMBL5496405 0.76 NFE2L2 (0.73) FBP1NFE2L2MEN1KMT2ANPC1
SCHEMBL1132385 0.74 ALDH1A1 (0.39) FBP1NFE2L2MEN1KMT2AMAPT
SCHEMBL9538889 0.73 NPBWR1 (0.40) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL3237563 0.73 NFE2L2 (0.58) FBP1NFE2L2MEN1KMT2ANPC1
SCHEMBL11708990 0.73 APP (0.42) NFE2L2MEN1KMT2AMAPTMAOB
SCHEMBL9538666 0.72 NPBWR1 (0.39) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311955-B1 BICYCLIC PEROXIDE F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
US-5134240-A Malaria therapy HOFFMANN-LAROCHE, INC. (US) 1992-07-28 US disclosed
EP-0311955-A2 Bicyclic peroxide F. HOFFMANN-LA ROCHE AG (CH) 1989-04-19 EP disclosed