SCHEMBL30341948

SCHEMBL30341948

COc1cc(C(N)=O)[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 4/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.46
▸ PLA2G10 O15496 3/20 0.44
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ ALPL P05186 2/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL27316074 0.82 MAPK1 (0.47) NNMTMAPK1SIRT6POLBLMNA
SCHEMBL28154526 0.82 ALPL (0.54) MAPK1LMNATDP1ALPLCA9
SCHEMBL30107039 0.81 MAPK1 (0.70) MAPK1POLBLMNAMAPTGAA
SCHEMBL27232998 0.77 SCN9A (0.49) MAPK1PLA2G10GAAKMT2AKDM4E
SCHEMBL20521318 0.77 PLA2G10 (0.38) MAPK1SIRT6PLA2G10LMNAMAPT
SCHEMBL1827221 0.75 MAPK1 (0.47) MAPK1PLA2G10LMNAALPLHCAR2
SCHEMBL27256360 0.75 RAB9A (0.59) MAPK1LMNAMAPTMEN1GAA
SCHEMBL24276956 0.74 — —
SCHEMBL1374372 0.74 — —
SCHEMBL5599765 0.72 HCAR2 (0.53) MAPK1PLA2G10HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253384-B Preparation and application of 3-isoxazole methoxy pyrazole-5-amide containing substituted phenyl isoxazole unit 南通大学 2023-04-07 — — CN claimed
CN-111253384-B Preparation and application of 3-isoxazole methoxy pyrazole-5-amide containing substituted phenyl isoxazole unit 南通大学 2023-04-07 — — CN disclosed
CN-111253384-B Preparation and application of 3-isoxazole methoxy pyrazole-5-amide containing substituted phenyl isoxazole unit 南通大学 2023-04-07 — — CN disclosed
CN-111253384-B Preparation and application of 3-isoxazole methoxy pyrazole-5-amide containing substituted phenyl isoxazole unit 南通大学 2023-04-07 — — CN disclosed
Send feedback