SCHEMBL21623054

SCHEMBL21623054

Nc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NCCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.47
▸ TP53 P04637 11/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ LMNA P02545 9/20 0.44
▸ MEN1 O00255 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FEN1 P39748 3/20 0.40
▸ ALOX5AP P20292 2/20 0.40
▸ GSTO1 P78417 1/20 0.40
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL21623085 0.90 MAPT (0.57) MAPTTP53LMNAMEN1MAPK1
SCHEMBL21626433 0.85 CYP1A2 (0.45) MAPTTP53CYP1A2LMNAMEN1
SCHEMBL21623555 0.85 CYP1A2 (0.43) MAPTTP53CYP1A2LMNAMEN1
SCHEMBL21623120 0.83 CYP1A2 (0.55) MAPTTP53CYP1A2LMNAMEN1
SCHEMBL21623574 0.83 CYP1A2 (0.45) MAPTTP53CYP1A2LMNAMEN1
SCHEMBL21623370 0.83 MAPT (0.55) MAPTTP53LMNAMEN1MAPK1
SCHEMBL21623108 0.82 MAPT (0.57) MAPTTP53LMNAMEN1MAPK1
SCHEMBL21623376 0.82 CYP1A2 (0.65) MAPTTP53CYP1A2LMNARAB9A
SCHEMBL21623291 0.81 LMNA (0.50) MAPTCYP1A2LMNAMEN1MAPK1
SCHEMBL21623202 0.80 MAPT (0.60) MAPTTP53CYP1A2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
WO-2020016434-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS OSPEDALE SAN RAFFAELE S.R.L. (IT) 2020-01-23 — — WO disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
EP-3597653-A1 CYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
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