SCHEMBL27770237

SCHEMBL27770237

NC(CO)CC(=O)OS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
LARS1 Q9P2J5 1/20 0.35
MAPT P10636 1/20 0.35
LTA4H P09960 1/20 0.35
HSD11B1 P28845 3/20 0.35
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL27791469 1.00 ALDH1A1 (0.37) ALDH1A1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL27770238 0.84 SLC1A3 (0.37) ALDH1A1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL27791598 0.84 SLC1A3 (0.37) ALDH1A1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL27791566 0.84 SLC1A3 (0.37) ALDH1A1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL538086 0.83 SLC1A1 (0.45) SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL3227102 0.81 LARS1 (0.38) ALDH1A1SLC1A3SLC1A2SLC1A1LARS1
SCHEMBL3037681 0.79 KMT2A (0.46) ALDH1A1LARS1MAPTHSD11B1KMT2A
SCHEMBL9728466 0.78 TSHR (0.41) ALDH1A1MAPTHSD11B1KDM4EKMT2A
SCHEMBL27725760 0.78 KMT2A (0.42) ALDH1A1LARS1MAPTLTA4HKMT2A
SCHEMBL2851340 0.76 GAA (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1

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-101641348-B Imidazolidinone derivatives HOFFMANN LA ROCHE 2014-09-10 CN disclosed
CN-101641348-A Imidazolidinone derivatives HOFFMANN LA ROCHE CH 2010-02-03 CN disclosed