SCHEMBL28827422

SCHEMBL28827422

OCC(O)CNc1ccc(S)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNM1 Q05193 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH2 P48735 3/20 0.35
SPHK1 Q9NYA1 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL17988078 0.80 MAPT (0.41) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL12126047 0.80 MAPT (0.44) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL26929021 0.80 MAPT (0.50) MAPTHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL33651 0.80 MAPT (0.41) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL1298434 0.79 MAPT (0.61) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL17988077 0.78 MAPT (0.47) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL7308100 0.77 MAPT (0.41) MAPTHTTSMN1; SMN2DNM1ALDH1A1
SCHEMBL3267016 0.76 EGLN2 (0.46) MAPTHTTSMN1; SMN2ALDH1A1GAA
SCHEMBL1664315 0.76 FNTA (0.53) MAPTHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL8316645 0.76 EGLN2 (0.46) MAPTHTTSMN1; SMN2ALDH1A1GAA

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-114990557-A Corrosion inhibitor for carbon steel pickling 重庆工业职业技术学院 2022-09-02 CN disclosed