SCHEMBL28285828

SCHEMBL28285828

C[C@H](NC(=O)c1ccccc1)C(=O)ONC(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ CA2 P00918 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1686722 0.82 GAA (0.58) ALDH1A1CA2CA1SMN1; SMN2TDP1
SCHEMBL9943346 0.82 GAA (0.58) ALDH1A1CA2CA1SMN1; SMN2TDP1
SCHEMBL28287129 0.80 ALDH1A1 (0.47) ALDH1A1CA2CA1MAPTPOLB
SCHEMBL15234281 0.77 SMN1; SMN2 (0.53) ALDH1A1CA2CA1SMN1; SMN2KMT2A
SCHEMBL3659103 0.77 SMN1; SMN2 (0.53) ALDH1A1CA2CA1SMN1; SMN2KMT2A
SCHEMBL4409741 0.77 SMN1; SMN2 (0.53) ALDH1A1CA2CA1SMN1; SMN2KMT2A
SCHEMBL28871451 0.76 ALDH1A1 (0.43) ALDH1A1CA2CA1TDP1KMT2A
SCHEMBL18285011 0.75 GAA (0.50) ALDH1A1CA2CA1SMN1; SMN2TDP1
SCHEMBL12849869 0.75 RAB9A (0.54) ALDH1A1SMN1; SMN2TDP1KDM4EGAA
SCHEMBL10791981 0.75 ELANE (0.53) ALDH1A1CA2CA1SMN1; SMN2TDP1

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-109524698-A One kind being based on thiocarbamide carboxylic acids metal organic frame/Nafion polymer hybrid proton exchange membrane and preparation method thereof 中能源工程集团氢能科技有限公司 2019-03-26 — — CN claimed
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