SCHEMBL29246799

SCHEMBL29246799

COc1ccc(C(=O)/C=C/N(C)C)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 2/20 0.51
LMNA P02545 5/20 0.49
CTSL P07711 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.48
RAB9A P51151 4/20 0.47
RECQL P46063 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
USP2 O75604 1/20 0.47
TLR9 Q9NR96 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
APP P05067 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL29690463 0.85 ABCG2 (0.65) MAPTALDH1A1HPGDLMNACTSL
SCHEMBL12722749 0.85 ABCG2 (0.65) MAPTALDH1A1HPGDLMNACTSL
SCHEMBL2107584 0.85 ABCG2 (0.65) MAPTALDH1A1HPGDLMNACTSL
SCHEMBL5808361 0.85 ABCG2 (0.67) MAPTALDH1A1HPGDLMNAABCG2
SCHEMBL5808359 0.85 ABCG2 (0.67) MAPTALDH1A1HPGDLMNAABCG2
SCHEMBL30904861 0.85 ABCG2 (0.65) MAPTALDH1A1HPGDLMNACTSL
SCHEMBL2107582 0.85 ABCG2 (0.65) MAPTALDH1A1HPGDLMNACTSL
SCHEMBL12722743 0.85 ABCG2 (0.67) MAPTALDH1A1HPGDLMNAABCG2
SCHEMBL24370751 0.84 GAA (0.62) MAPTALDH1A1HPGDLMNACTSL
SCHEMBL6450819 0.84 GAA (0.62) MAPTALDH1A1HPGDLMNACTSL

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-118479973-A Preparation method of 1-naphthylamine compound 西北工业大学 2024-08-13 CN claimed
CN-118388325-A Preparation method of 1-naphthol compound 西北工业大学 2024-07-26 CN claimed
CN-118307411-A Preparation method of 2-acyl naphthol compound 西北工业大学 2024-07-09 CN claimed
CN-118479973-A Preparation method of 1-naphthylamine compound 西北工业大学 2024-08-13 CN disclosed
CN-118388325-A Preparation method of 1-naphthol compound 西北工业大学 2024-07-26 CN disclosed
CN-118307411-A Preparation method of 2-acyl naphthol compound 西北工业大学 2024-07-09 CN disclosed