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SCHEMBL28639455

SCHEMBL28639455

CC(C)c1cc(C(C)C)c(-c2cc(-c3ccc4ccc5ccc(-c6cc(-c7c(C(C)C)cc(C(C)C)cc7C(C)C)cc(-c7c(C(C)C)cc(C(C)C)cc7C(C)C)c6)nc5c4n3)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)c(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 2/20 0.36
▸ FABP4 P15090 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 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
SCHEMBL30083105 1.00 FABP3 (0.36) FABP3FABP4ROCK2TDP1GABRA1
SCHEMBL30413989 0.83 PARP1 (0.38) FABP3FABP4ROCK2TDP1
SCHEMBL29009663 0.83 PARP1 (0.38) FABP3FABP4ROCK2TDP1
SCHEMBL30112757 0.79 PARP1 (0.35) FABP3FABP4ROCK2TDP1FABP5
SCHEMBL28959860 0.79 PARP1 (0.35) FABP3FABP4ROCK2TDP1FABP5
SCHEMBL28713857 0.78 LMNA (0.37) FABP3FABP4TDP1GABRA1GABRB2
SCHEMBL26350441 0.78 RAB9A (0.42) —
SCHEMBL30083108 0.76 TDP1 (0.49) TDP1PDE4B
SCHEMBL28719174 0.74 FABP3 (0.37) FABP3FABP4TDP1GABRA1GABRB2
SCHEMBL31291016 0.70 GABRA1 (0.38) FABP3FABP4ROCK2GABRA1GABRB2

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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