SCHEMBL29518336

SCHEMBL29518336

N#Cc1cc(Br)c(Cn2cccn2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ KAT7 O95251 2/20 0.34
▸ KAT6B Q8WYB5 2/20 0.34
▸ KAT6A Q92794 2/20 0.34
▸ KAT5 Q92993 2/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ AR P10275 1/20 0.33
▸ EGLN2 Q96KS0 3/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ CA12 O43570 1/20 0.32

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
SCHEMBL22802475 1.00 BRD4 (0.36) BRD4SCN9AKAT7KAT6BKAT6A
SCHEMBL31432562 0.87 TRPV4 (0.38) BRD4SCN9AKAT7KAT6BKAT6A
SCHEMBL31432587 0.86 PDE4A (0.40) BRD4SCN9AKAT7KAT6BKAT6A
SCHEMBL31432503 0.81 KAT7 (0.43) SCN9AKAT7KAT6BKAT6AKAT5
SCHEMBL31371760 0.81 KAT7 (0.38) BRD4SCN9AKAT7KAT6BKAT6A
SCHEMBL31432685 0.80 KAT7 (0.41) BRD4SCN9AKAT7KAT6BKAT6A
SCHEMBL31432602 0.79 KAT7 (0.44) BRD4SCN9AKAT7KAT6BKAT6A
SCHEMBL31432522 0.77 IKBKE (0.38) SCN9AKAT7KAT6BKAT6AKAT5
SCHEMBL31432570 0.77 GAA (0.39) BRD4KAT7KAT6BKAT6AKAT5
SCHEMBL31371751 0.75 SCN9A (0.51) SCN9AGAAMAPTARHDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114364672-B Benzisoxazole sulfonamide derivatives 辉瑞大药厂 2024-09-06 — — CN disclosed
CN-114364672-A Benzisoxazole sulfonamide derivatives 辉瑞大药厂 2022-04-15 — — CN disclosed
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