SCHEMBL21636807

SCHEMBL21636807

CNc1ccc(C(=O)Nc2cc(F)c(F)c(F)c2)cc1S(=O)(=O)NC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 13/20 0.64
▸ MAPT P10636 12/20 0.64
▸ LMNA P02545 8/20 0.63
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ CCR8 P51685 1/20 0.45
▸ STK25 O00506 1/20 0.42

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
SCHEMBL23790478 0.92 MAPT (0.54) TP53MAPTLMNAMEN1KMT2A
SCHEMBL17085002 0.88 MAPT (0.81) TP53MAPTLMNAMEN1KMT2A
SCHEMBL21626515 0.85 TP53 (0.67) TP53MAPTLMNAMEN1KMT2A
SCHEMBL15076594 0.85 MAPT (0.73) TP53MAPTLMNAMEN1KMT2A
SCHEMBL15076403 0.84 MAPT (0.74) TP53MAPTLMNAMEN1KMT2A
SCHEMBL21623255 0.83 MAPT (0.73) TP53MAPTLMNAKMT2APOLB
SCHEMBL15277009 0.81 MAPT (0.70) TP53MAPTLMNAMEN1KMT2A
SCHEMBL21623202 0.81 MAPT (0.60) TP53MAPTLMNAMEN1KMT2A
SCHEMBL15076422 0.80 MAPT (0.71) TP53MAPTLMNAMEN1KMT2A
SCHEMBL21623313 0.80 CYP1A2 (0.55) TP53MAPTLMNAMEN1KMT2A

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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