SCHEMBL8517093

SCHEMBL8517093

CCCCc1c([N+](=O)[O-])ccc(N=C=O)c1O[SiH](C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 5/20 0.34
GSR P00390 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6921922 0.73 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL1551949 0.65 CYP3A4 (0.57) ALDH1A1MAPTTDP1LMNA
SCHEMBL1963148 0.64 HPGD (0.42) ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL17242666 0.63 TSHR (0.45) ALDH1A1MAPTTDP1L3MBTL1LMNA
SCHEMBL5587187 0.63 HPGD (0.41) ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3839311 0.62 CYP3A4 (0.56) ALDH1A1MAPTPOLB
SCHEMBL3843245 0.62 TSHR (0.56) ALDH1A1MAPTTDP1POLB
SCHEMBL27321459 0.62 TSHR (0.55) ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL5691196 0.62 GPR35 (0.45) ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL30425872 0.62 GPR35 (0.45) ALDH1A1MAPTTDP1L3MBTL1

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
EP-0907362-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0907362-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-14 EP disclosed
WO-1997049399-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed