SCHEMBL25041758

SCHEMBL25041758

COc1cc(N2CC(C)OC(C)C2)ccc1NCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PDE4D Q08499 1/20 0.38
▸ TTK P33981 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ GAK O14976 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 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
SCHEMBL25039943 0.89 PTK2 (0.38) PTK2ACHEBACE1SMN1; SMN2MAPT
SCHEMBL30279160 0.89 PTK2 (0.38) PTK2ACHEBACE1SMN1; SMN2MAPT
SCHEMBL25042227 0.78 ACHE (0.43) ACHEBACE1PDE4DSMN1; SMN2HPGD
SCHEMBL25042300 0.77 KMT2A (0.37) TTKALKKDM4EUSP2ALDH1A1
SCHEMBL13462989 0.75 MAPT (0.38) TTKMAPTLRRK2
SCHEMBL30279087 0.75 MAPT (0.38) TTKMAPTLRRK2
SCHEMBL25039475 0.75 MAPT (0.38) TTKMAPTLRRK2
SCHEMBL13438919 0.75 MAPT (0.38) TTKMAPTLRRK2
SCHEMBL13462695 0.75 MAPT (0.38) TTKMAPTLRRK2
SCHEMBL11935237 0.75 MAPT (0.38) TTKMAPTLRRK2

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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