SCHEMBL27353117

SCHEMBL27353117

O=[C]C(c1ccc(F)cc1)c1ccsc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
ALPG P10696 2/20 0.38
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.33
SLC6A3 Q01959 2/20 0.32
IDO1 P14902 2/20 0.31
TDO2 P48775 2/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL8909503 0.82 LMNA (0.48) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL9180217 0.75 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1ALPGHPGD
SCHEMBL7320352 0.72 NR3C1 (0.36) ALOX5SLC6A3IDO1TDO2HDAC3
SCHEMBL1515731 0.71 ALOX5 (0.33) ALDH1A1ALOX5SLC6A3IDO1TDO2
SCHEMBL10458281 0.70 ALOX5 (0.43) SMN1; SMN2ALOX5SLC6A3IDO1TDO2
SCHEMBL10821317 0.67
SCHEMBL7289321 0.67
SCHEMBL10621311 0.67
SCHEMBL10805889 0.67
SCHEMBL6864864 0.66 IDO1 (0.37) ALOX5IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1058841-C Fungicidal oxazolidinones DU PONT (US) 2000-11-29 CN disclosed
CN-1028143-C Oxazolidinone sterilization composition DU PONT (US) 1995-04-12 CN disclosed
CN-1096157-A Antifungal De oxazolidone DU PONT (US) 1994-12-14 CN disclosed