SCHEMBL27643326

SCHEMBL27643326

C=C(C(=O)O)n1nnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 10/20 0.63
▸ MGAM O43451 9/20 0.63
▸ AMY1A P0DUB6 9/20 0.63
▸ SI P14410 9/20 0.63
▸ MGAM2 Q2M2H8 9/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ F2 P00734 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ SLC9A1 P19634 1/20 0.63
▸ DGAT1 O75907 1/20 0.56
▸ KCNMA1 Q12791 1/20 0.54
▸ F12 P00748 6/20 0.53
▸ FAAH O00519 1/20 0.51
▸ MGLL Q99685 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MIF P14174 1/20 0.49

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
SCHEMBL8693720 0.82 GAA (0.67) GAAMGAMAMY1ASIMGAM2
SCHEMBL170673 0.82 GAA (0.71) GAAMGAMAMY1ASIMGAM2
Water SCHEMBL27547496 0.80 GAA (0.69) GAAMGAMAMY1ASIMGAM2
Ammonia Solution, Strong SCHEMBL3505685 0.80 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL3840404 0.80 GAA (0.69) GAAMGAMAMY1ASIMGAM2
Hydrochloric Acid SCHEMBL10363645 0.80 GAA (0.69) GAAMGAMAMY1ASIMGAM2
SCHEMBL706083 0.80 MGAM (0.68) GAAMGAMAMY1ASIMGAM2
SCHEMBL15426053 0.80 DGAT1 (0.66) GAAMGAMAMY1ASIMGAM2
SCHEMBL4250719 0.80 GAA (0.68) GAAMGAMAMY1ASIMGAM2
Methyl Alcohol SCHEMBL28226904 0.79 GAA (0.67) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111378223-A Ultraviolet-resistant polyethylene composite material, preparation method and application thereof 南京京科新材料研究院有限公司 2020-07-07 — — CN claimed
CN-111378223-A Ultraviolet-resistant polyethylene composite material, preparation method and application thereof 南京京科新材料研究院有限公司 2020-07-07 — — CN disclosed
CN-100340015-C Negative electrode for nonaqueous electrolyte secondary battery, method for producing same, and nonaqueous electrolyte secondary battery MITSUI MINING & SMELTING CO (JP) 2007-09-26 — — CN disclosed
CN-1711654-A Negative electrode for nonaqueous electrolyte secondary battery, method for producing same, and nonaqueous electrolyte secondary battery MITSUI MINING & SMELTING CO (JP) 2005-12-21 — — CN disclosed
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