SCHEMBL28446016

SCHEMBL28446016

O=C(O)c1cccc(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 1/20 0.62
▸ SCN10A Q9Y5Y9 4/20 0.61
▸ ABL1 P00519 1/20 0.56
▸ SCN9A Q15858 4/20 0.50
▸ EPHB4 P54760 1/20 0.50
▸ TEK Q02763 1/20 0.50
▸ DHODH Q02127 1/20 0.49
▸ SCN2A Q99250 2/20 0.48
▸ SCN5A Q14524 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ACMSD Q8TDX5 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ TPX2 Q9ULW0 1/20 0.46
▸ MCL1 Q07820 1/20 0.45

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
SCHEMBL3134594 0.87 SCN10A (0.60) SUCNR1SCN10AABL1SCN9A
SCHEMBL4591255 0.86 SCN10A (0.65) SUCNR1SCN10AABL1SCN9AEPHB4
SCHEMBL25003803 0.83 SUCNR1 (0.67) SUCNR1SCN10AABL1SCN9AEPHB4
SCHEMBL22940136 0.82 SCN10A (0.61) SUCNR1SCN10AABL1SCN9AEPHB4
SCHEMBL10247654 0.82 SCN9A (0.64) SCN9AMCL1
SCHEMBL31301547 0.81 SCN10A (0.62) SUCNR1SCN10AABL1SCN9ADHODH
SCHEMBL3129022 0.80 MCL1 (0.67) SCN9ADHODHKDM4EALOX15TSHR
SCHEMBL30614602 0.80 MCL1 (0.60) ADORA3KDM4EALOX15TSHRACMSD
SCHEMBL4630405 0.80 MCL1 (0.60) ADORA3KDM4EALOX15TSHRACMSD
SCHEMBL24518040 0.80 SCN9A (0.55) SCN9AKDM4EALOX15TSHRACMSD

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-111440174-B Pyridine amide compound and preparation method and application thereof 广州医科大学 2021-07-09 — — CN disclosed
CN-111440174-A Pyridine amide compound and preparation method and application thereof 广州医科大学 2020-07-24 — — CN disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 — — CN disclosed
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