SCHEMBL29502829

SCHEMBL29502829

COC(=O)/C(=C(\N)c1ccccc1)n1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.56
▸ MGAM O43451 9/20 0.56
▸ AMY1A P0DUB6 9/20 0.56
▸ SI P14410 9/20 0.56
▸ MGAM2 Q2M2H8 9/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ F2 P00734 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ SLC9A1 P19634 1/20 0.56
▸ F12 P00748 6/20 0.51
▸ MIF P14174 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL28589160 0.90 F12 (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL28580426 0.90 MGAM (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL29502828 0.87 KCNMA1 (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL28588844 0.86 MGAM (0.51) GAAMGAMAMY1ASIMGAM2
SCHEMBL28579185 0.85 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL29502831 0.85 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL28594361 0.85 GAA (0.63) GAAMGAMAMY1ASIMGAM2
SCHEMBL29502827 0.81 F12 (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL28583923 0.81 F12 (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL31749537 0.81 F12 (0.46) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045508-B Method for synthesizing diaminoalkene by NBS (N-bromosuccinimide) to promote polarity reversal of enaminone 河南科技大学 2022-04-22 — — CN disclosed
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