SCHEMBL28644464

SCHEMBL28644464

CC(C)c1cc(C(C)C)c(C#Cc2ccc3ccc4ccc(C#Cc5c(C(C)C)cc(C(C)C)cc5C(C)C)nc4c3n2)c(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.36
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ FABP3 P05413 2/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ FABP5 Q01469 1/20 0.32
▸ PDE4B Q07343 1/20 0.30

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
SCHEMBL30083107 1.00 TDP1 (0.36) TDP1GABRA1GABRB2FABP3FABP4
SCHEMBL15329461 0.69 APP (0.44) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28639455 0.65 FABP3 (0.36) TDP1GABRA1GABRB2FABP3FABP4
SCHEMBL30083105 0.65 FABP3 (0.36) TDP1GABRA1GABRB2FABP3FABP4
SCHEMBL3304566 0.63 FABP4 (0.48) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL2592603 0.63 GABRA1 (0.45) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28926577 0.63 GABRA1 (0.45) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL12205804 0.59 GRM5 (0.30) —
SCHEMBL12789731 0.58 TDP1 (0.53) TDP1PDE4B
SCHEMBL3079552 0.57 GABRA1 (0.52) GABRA1GABRB2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549064-B Two 1, 10-phenanthroline skeleton ligands and iron complex thereof, and preparation method and application thereof 南开大学 2022-11-18 — — CN claimed
CN-113549064-A Two 1, 10-phenanthroline skeleton ligands and iron complex thereof, and preparation method and application thereof 南开大学 2021-10-26 — — CN claimed
CN-113549064-B Two 1, 10-phenanthroline skeleton ligands and iron complex thereof, and preparation method and application thereof 南开大学 2022-11-18 — — CN disclosed
CN-113549064-B Two 1, 10-phenanthroline skeleton ligands and iron complex thereof, and preparation method and application thereof 南开大学 2022-11-18 — — CN disclosed
CN-113549064-A Two 1, 10-phenanthroline skeleton ligands and iron complex thereof, and preparation method and application thereof 南开大学 2021-10-26 — — CN disclosed
CN-113549064-A Two 1, 10-phenanthroline skeleton ligands and iron complex thereof, and preparation method and application thereof 南开大学 2021-10-26 — — CN disclosed
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