SCHEMBL7475532

SCHEMBL7475532

COc1ccccc1C(Br)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ CA4 P22748 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ CTSD P07339 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ IDO1 P14902 1/20 0.42

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
SCHEMBL7468522 0.83 KMT2A (0.53) CA1CA2CA12CA7CA9
SCHEMBL8933613 0.83 POLB (0.47) CA1CA2CA12CA7CA9
SCHEMBL29386813 0.82 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL306964 0.82 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL639945 0.81 POLB (0.46) CA1CA2CA12CA7CA9
SCHEMBL4860223 0.79 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL9729192 0.79 KMT2A (0.53) CA1CA2CA12CA7CA9
SCHEMBL7288497 0.79 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL4554195 0.79 KMT2A (0.53) CA1CA2CA12CA7CA9
SCHEMBL28007153 0.78 CA1 (0.48) CA1CA2CA12CA7CA9

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-118459362-A N-aryl-2- (2-hydroxybenzyloxy) acetamides, preparation method and application thereof 湖南科技大学 2024-08-09 — — CN disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 — — EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 — — US disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 — — CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 — — EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 — — WO disclosed
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