SCHEMBL8768375

SCHEMBL8768375

O=C(O)CNC(=O)c1ccccc1NCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KEAP1 Q14145 1/20 0.51
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 2/20 0.46
AGTR1 P30556 1/20 0.46
EGLN1 Q9GZT9 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
PPARG P37231 2/20 0.45
BACE1 P56817 1/20 0.44
MAPT P10636 2/20 0.43
CGAS Q8N884 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL31448014 0.83 KEAP1 (0.62) KEAP1KDM4ERAB9AEGLN1MAPT
SCHEMBL17087190 0.83 KEAP1 (0.51) HPGDALDH1A1HSD17B10KEAP1KDM4E
SCHEMBL27419805 0.81 BACE1 (0.50) ALDH1A1KEAP1KDM4EEGLN1ITGB3
SCHEMBL21800978 0.80 CYP2C19 (0.58) HPGDALDH1A1KEAP1KDM4ERAB9A
SCHEMBL13992226 0.80 BACE1 (0.68) HPGDPPARGBACE1MAPT
SCHEMBL30289977 0.78 KMT2A (0.65) HPGDALDH1A1HSD17B10KEAP1KDM4E
SCHEMBL27450922 0.78 KEAP1 (0.66) ALDH1A1KEAP1KDM4ERAB9AEGLN1
SCHEMBL4952951 0.78 LMNA (0.63) HPGDALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL7345812 0.78 BACE1 (0.47) ALDH1A1KEAP1KDM4EEGLN1ITGB3
SCHEMBL1649572 0.77 CHRNB2 (0.68) ALDH1A1KEAP1EGLN1PPARGKDM4C

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
EP-0792146-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-09-03 EP disclosed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO disclosed