SCHEMBL23036751

SCHEMBL23036751

O=C(O)N1CCCOCC1c1cc(Br)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ RECQL P46063 1/20 0.33

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 0.90 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL23036779 0.85 GAA (0.36) MAPTSMN1; SMN2ALDH1A1HTTHRH3
SCHEMBL31472404 0.83 TSHR (0.40) MAPTSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL21491244 0.83 TSHR (0.40) MAPTSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL21491154 0.83 OPRK1 (0.37) KMT2AHRH3
SCHEMBL25332741 0.82 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL21491341 0.81 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL21491227 0.81 ATAD2 (0.44) MAPTALDH1A1HTTL3MBTL1KMT2A
SCHEMBL23036725 0.80 KCNK3 (0.32) L3MBTL1
SCHEMBL23036717 0.79 BACE1 (0.31) BACE1

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
EP-3784666-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2021-03-03 — — EP disclosed
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