SCHEMBL25042227

SCHEMBL25042227

COc1cc(NCC2CCCCC2)ccc1N1CC(C)OC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GAK O14976 2/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GALR1 P47211 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL30279289 0.89 BACE1 (0.42) ACHEBACE1NPSR1L3MBTL1ATM
SCHEMBL25039941 0.89 BACE1 (0.42) ACHEBACE1NPSR1L3MBTL1ATM
SCHEMBL25039949 0.89 BACE1 (0.42) ACHEBACE1NPSR1L3MBTL1ATM
SCHEMBL25042117 0.87 ACHE (0.43) ACHEBACE1NPSR1L3MBTL1ATM
SCHEMBL25039766 0.84 ALDH1A1 (0.41) ACHEBACE1L3MBTL1KMT2AMEN1
SCHEMBL25041758 0.78 PTK2 (0.39) ACHEBACE1NPSR1L3MBTL1GAK
SCHEMBL25042422 0.74 KDM4C (0.36) KMT2AMEN1NPC1TSHRKDM4E
SCHEMBL25039295 0.74 KDM4E (0.35) BACE1NPSR1KMT2ATDP1TSHR
SCHEMBL11935236 0.74 KDM4E (0.35) BACE1NPSR1KMT2ATDP1TSHR
SCHEMBL13438914 0.74 KDM4E (0.35) BACE1NPSR1KMT2ATDP1TSHR

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-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
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