SCHEMBL13403292

SCHEMBL13403292

C#CCn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.53
TK1 P04183 2/20 0.50
TYMP P19971 4/20 0.48
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TK2 O00142 1/20 0.43

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
SCHEMBL6466825 0.84 MAPK1 (0.56) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL17791228 0.79 KDM4E (0.49)
SCHEMBL13384447 0.78 TYMP (0.39) MAPK1HPGDTK1TYMP
SCHEMBL2183944 0.77 MAPK1 (0.61) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL27708058 0.76 MAPK1 (0.59) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL1058809 0.76 MAPK1 (0.59) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL15110503 0.76 TK2 (0.60) MAPK1HPGDTK1TYMPTK2
Ammonia Solution, Strong SCHEMBL4194711 0.76 MAPK1 (0.59) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL26034737 0.76 MAPK1 (0.59) MAPK1HPGDTK1TYMP
SCHEMBL7215300 0.74 MAPK1 (0.57) MAPK1HPGDTK1TYMPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111378183-B Hybrid dynamic polymer containing reversible free radical dynamic covalent bond and application thereof 厦门逍扬运动科技有限公司 2024-10-25 CN disclosed
CN-108358927-B 1, 4-disubstituted 1,2, 3-triazole nucleoside analogue, and preparation method and application thereof 郑州大学 2020-09-01 CN disclosed
CN-111378162-A Energy absorption method based on dynamic polymer 翁秋梅 2020-07-07 CN disclosed
CN-111378183-A Hybrid dynamic polymer containing reversible free radical type dynamic covalent bond and application thereof 翁秋梅 2020-07-07 CN disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed