SCHEMBL31040338

SCHEMBL31040338

Brc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)cc1.[Zn]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ GCGR P47871 5/20 0.34
▸ MAPK14 Q16539 5/20 0.34
▸ MAPK13 O15264 4/20 0.34
▸ MAPK12 P53778 4/20 0.34
▸ MAPK11 Q15759 4/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ NR1I3 Q14994 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ APP P05067 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL5015310 0.98 STAT3 (0.38) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL27999723 0.97 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28367025 0.97 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL27859875 0.97 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
Hydrochloric Acid SCHEMBL27999705 0.96 STAT3 (0.36) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28562984 0.96 STAT3 (0.42) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28999747 0.87 STAT3 (0.38) STAT3STAT1
SCHEMBL28439248 0.85 STAT3 (0.37) STAT3STAT1GCGRMAPK14MAPK13
SCHEMBL28779398 0.85 MEN1 (0.39) STAT3STAT1MAPTMMP2MMP9
SCHEMBL1275380 0.85 STAT3 (0.51) STAT3STAT1MAPTHDAC6TP53

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-118518884-A Functionalized magnetic microsphere and application thereof in troponin immunodetection 山东交通学院 2024-08-20 — — CN claimed
CN-118518884-A Functionalized magnetic microsphere and application thereof in troponin immunodetection 山东交通学院 2024-08-20 — — CN disclosed
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