SCHEMBL25332741

SCHEMBL25332741

O=C(O)N1CCOCC1c1ccc(Br)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ BACE1 P56817 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL21491177 0.93 MAPT (0.40) MAPTALDH1A1HTTBACE1PKM
SCHEMBL25331015 0.85 KDM1A (0.38) MAPTALDH1A1HTTBACE1RAB9A
SCHEMBL25331369 0.85 POLB (0.41) MAPTALDH1A1HTTBACE1GAA
SCHEMBL25333214 0.83 NR1H2 (0.41) MAPTALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL23036751 0.82 MAPT (0.38) MAPTALDH1A1HTTBACE1L3MBTL1
SCHEMBL25334663 0.81 KDM1A (0.42) MAPTALDH1A1HTTBACE1GAA
SCHEMBL21491243 0.78 OPRK1 (0.35) CYP2C9CYP2C19KMT2A
SCHEMBL25332686 0.78 LIPG (0.34) BACE1
SCHEMBL23036739 0.78 MAPT (0.39) MAPTALDH1A1HTTL3MBTL1NPSR1
SCHEMBL21491127 0.77 OPRK1 (0.35) MAPTHTTCYP2C9CYP2C19SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139241-A1 HETEROCYCLIC COMPOUNDS AS UBIQUITIN SPECIFIC PROTEASE 7 INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2023-07-27 — — WO disclosed
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