SCHEMBL9040346

SCHEMBL9040346

O=S(=O)(OCC(F)(F)F)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
PKM P14618 3/20 0.43
KMT2A Q03164 1/20 0.43
MCOLN3 Q8TDD5 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.42
KAT6A Q92794 2/20 0.41
CYP19A1 P11511 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL9038709 0.85 LMNA (0.42) LMNAL3MBTL1PKMKMT2AMCOLN3
SCHEMBL30156675 0.83 F2 (0.43) LMNAL3MBTL1PKMTDP1GAA
SCHEMBL30156583 0.83 F2 (0.43) LMNAL3MBTL1PKMTDP1GAA
SCHEMBL15000836 0.81 LMNA (0.55) LMNAL3MBTL1PKMKMT2AMCOLN3
SCHEMBL6115267 0.81 LMNA (0.55) LMNAL3MBTL1PKMKMT2AMCOLN3
SCHEMBL15009954 0.80 SCN9A (0.36) LMNAHTT
SCHEMBL2270234 0.79 CA1 (0.43) KMT2ATSHRTDP1MAPK1SMN1; SMN2
SCHEMBL9442565 0.78 L3MBTL1 (0.56) LMNAL3MBTL1PKMKMT2AMCOLN3
SCHEMBL2880572 0.77 L3MBTL1 (0.55) LMNAL3MBTL1PKMKMT2AMCOLN3
SCHEMBL25703510 0.76 ALDH1A1 (0.42) LMNAL3MBTL1GAAHTTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402989-B1 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA NV (BE) 1996-04-03 EP disclosed
EP-0331232-B1 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA NV (BE) 1994-05-18 EP disclosed
US-5075309-A For prevention and treatment of fungal diseases in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-24 US disclosed
EP-0402989-A2 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA N.V. (BE) 1990-12-19 EP disclosed
US-4931444-A FOR LEUKOTRIENE-MEDIATED DISEASES AND DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-05 US disclosed
EP-0331232-A2 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-06 EP disclosed