SCHEMBL21623219

SCHEMBL21623219

O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NCCNCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 15/20 0.58
▸ TP53 P04637 10/20 0.58
▸ LMNA P02545 12/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HTT P42858 4/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ RECQL P46063 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ HTR2B P41595 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ MAOB P27338 1/20 0.45

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
SCHEMBL21626408 0.86 MAPT (0.62) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL21623085 0.84 MAPT (0.57) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL15076818 0.83 MAPT (0.57) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL21327806 0.80 MAPT (0.75) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL21623370 0.80 MAPT (0.55) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL21623108 0.77 MAPT (0.57) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL21623245 0.76 MAPT (0.59) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL17457280 0.76 LMNA (0.57) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL15076544 0.76 LMNA (0.61) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL17465705 0.76 LMNA (0.61) MAPTTP53LMNASMN1; SMN2HTT

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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