SCHEMBL28640277

SCHEMBL28640277

CC(NC(=O)c1ccccc1)c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ ALDH1A1 P00352 3/20 0.88
▸ LMNA P02545 2/20 0.88
▸ NPC1 O15118 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ HPGD P15428 1/20 0.59
▸ HSP90AA1 P07900 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ ROCK2 O75116 1/20 0.56
▸ RPS6KA5 O75582 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56
▸ CDK1 P06493 1/20 0.56
▸ CSF1R P07333 1/20 0.56
▸ PRKACA P17612 1/20 0.56
▸ FLT1 P17948 1/20 0.56
▸ RPS6KB1 P23443 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ MAPK1 P28482 1/20 0.56

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
SCHEMBL5644663 0.93 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1LMNANPC1L3MBTL1
SCHEMBL751213 0.88 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNANPC1POLB
SCHEMBL1101522 0.88 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNANPC1POLB
SCHEMBL5968858 0.88 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1LMNANPC1POLB
SCHEMBL2407415 0.87 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1LMNANPC1POLB
SCHEMBL29135907 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNANPC1POLB
SCHEMBL28651689 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNANPC1GAA
SCHEMBL9318785 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNANPC1GAA
SCHEMBL8759636 0.84 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1LMNANPC1L3MBTL1
SCHEMBL8759672 0.84 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1LMNANPC1L3MBTL1

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
CN-119684070-A HFIP power assisting C (sp3) Direct methylation method of-H bond and application thereof 西南大学 2025-03-25 — — CN disclosed
CN-113372568-B Preparation method of neodymium-based or holmium-based chiral metal-organic porous crystalline material, prepared material and application thereof 合肥工业大学 2022-07-22 — — CN disclosed
CN-113372568-A Preparation method of neodymium-based or holmium-based chiral metal-organic porous crystalline material, prepared material and application thereof 合肥工业大学 2021-09-10 — — CN disclosed
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