SCHEMBL23912322

SCHEMBL23912322

CC(=O)c1ccc(SN2CCCC(O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 7/20 0.39
▸ GRM3 Q14832 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL22084075 0.78 TRIM24 (0.37) HPGDLMNAALDH1A1MAPTMEN1
SCHEMBL11858309 0.75 KMT2A (0.54) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL4521726 0.72 SMN1; SMN2 (0.39) HPGDLMNAL3MBTL1HTTALDH1A1
SCHEMBL25629535 0.72 LMNA (0.51) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL609169 0.71 CYP1A1 (0.51) HPGDLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL20662464 0.69 DDB1 (0.37) HPGDL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4531563 0.68 ALDH1A1 (0.40) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL8194084 0.68 ALDH1A1 (0.40) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL21310359 0.65 — —
SCHEMBL21310375 0.65 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 — — EP disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 — — EP disclosed
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