SCHEMBL31035964

SCHEMBL31035964

O=C1c2ccccc2C(=O)N1CCCCCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
ACHE P22303 4/20 0.65
CASP3 P42574 1/20 0.65
FAAH O00519 1/20 0.64
MGLL Q99685 1/20 0.64
CYP1B1 Q16678 1/20 0.63

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
SCHEMBL5093425 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL29263641 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL8434811 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL9219707 1.00 TDP1 (1.00) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL916601 0.98 TDP1 (0.96) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL45050 0.93 TDP1 (0.86) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL30371663 0.93 TDP1 (0.86) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL9021226 0.91 TDP1 (0.82) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL24340266 0.88 TDP1 (0.79) TDP1L3MBTL1GSK3AGSK3BACHE
SCHEMBL3792244 0.87 TDP1 (0.77) TDP1L3MBTL1GSK3AGSK3BACHE

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
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed