SCHEMBL21624587

SCHEMBL21624587

NC[C@@H]1CCCN1S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(F)c(F)c2)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.66
▸ TP53 P04637 7/20 0.66
▸ LMNA P02545 6/20 0.48
▸ TSHR P16473 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ POLB P06746 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ RAB9A P51151 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
SCHEMBL21623228 1.00 MAPT (0.66) MAPTTP53LMNATSHRHTT
SCHEMBL21623371 0.97 MAPT (0.70) MAPTTP53LMNATSHRHTT
SCHEMBL21623355 0.97 MAPT (0.70) MAPTTP53LMNATSHRHTT
SCHEMBL21623352 0.97 MAPT (0.70) MAPTTP53LMNATSHRHTT
SCHEMBL21623190 0.94 MAPT (0.60) MAPTTP53LMNATSHRHTT
SCHEMBL21624586 0.94 MAPT (0.60) MAPTTP53LMNATSHRHTT
SCHEMBL15076342 0.91 MAPT (0.64) MAPTTP53LMNATSHRHTT
SCHEMBL21623251 0.88 MAPT (0.68) MAPTTP53LMNATSHRHTT
SCHEMBL21623327 0.88 MAPT (0.68) MAPTTP53LMNATSHRHTT
SCHEMBL21623284 0.88 MAPT (0.68) MAPTTP53LMNATSHRHTT

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 1 patent. 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
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