SCHEMBL8768491

SCHEMBL8768491

O=C(O)C(NCO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.46
APAF1 O14727 1/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
FPR2 P25090 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LTA4H P09960 1/20 0.41
ANPEP P15144 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL10906098 0.86 NAALAD2 (0.49) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL14015971 0.85 MTOR (0.52) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL28513139 0.84 ALDH1A1 (0.57) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL10332377 0.84 EPHX1 (0.46) CYP2D6LMNAMAPK1
SCHEMBL10332375 0.84 MEN1 (0.41) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL19333959 0.82 APAF1 (0.49) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL306216 0.82 APAF1 (0.49) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL536302 0.82 APAF1 (0.49) CYP2D6SRCNAALAD2APAF1LMNA
SCHEMBL6349368 0.81 MEN1 (0.50) CYP2D6NAALAD2LMNAMAPK1MEN1
SCHEMBL6349370 0.81 MEN1 (0.50) CYP2D6NAALAD2LMNAMAPK1MEN1

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 4 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 claimed
WO-1997002028-A1 INACTIVATION OF PATHOGENS USING HYDROXYMETHYLAMINES HEMASURE, INC. (US) 1997-01-23 WO claimed
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