SCHEMBL21626414

SCHEMBL21626414

O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(S(=O)(=O)NCC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 20/20 0.53
▸ TP53 P04637 16/20 0.53
▸ LMNA P02545 13/20 0.53
▸ MAPK1 P28482 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ HTT P42858 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL21626433 0.90 CYP1A2 (0.45) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623108 0.84 MAPT (0.57) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623085 0.84 MAPT (0.57) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623370 0.82 MAPT (0.55) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623245 0.81 MAPT (0.59) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623171 0.81 MAPT (0.53) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL13543493 0.81 PTK2B (0.58) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL21623254 0.79 MAPT (0.47) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623326 0.79 MAPT (0.47) MAPTTP53LMNAMAPK1SMN1; SMN2
SCHEMBL21623257 0.79 MAPT (0.47) MAPTTP53LMNAMAPK1SMN1; 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 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-2020016427-A1 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-3597637-A1 INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-01-22 — — EP disclosed
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