SCHEMBL25396735

SCHEMBL25396735

NCCOC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ MAPT P10636 5/20 0.58
▸ PKM P14618 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL27374547 0.91 TDP1 (0.78) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374549 0.88 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374551 0.88 TDP1 (0.84) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374545 0.87 TDP1 (0.82) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27554366 0.87 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374554 0.87 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374556 0.87 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374450 0.87 TDP1 (0.72) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374553 0.87 TDP1 (0.82) TDP1L3MBTL1ALDH1A1MAPTPKM
SCHEMBL27374559 0.86 TDP1 (0.71) TDP1L3MBTL1ALDH1A1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 — — WO claimed
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 — — WO disclosed
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 — — WO disclosed
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