SCHEMBL8424860

SCHEMBL8424860

CC(=O)N(CCO)/N=C/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
G6PC1 P35575 3/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
AKR1C3 P42330 1/20 0.37
GLA P06280 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
PLA2G7 Q13093 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL8424861 1.00 ALDH1A1 (0.44) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL11179133 0.84 ALDH1A1 (0.44) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL11179130 0.84 ALDH1A1 (0.44) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL3504061 0.83 CYP1A2 (0.52) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL3504060 0.83 CYP1A2 (0.52) ALDH1A1LMNAMEN1KMT2ATDP1
SCHEMBL8421139 0.82 ALDH1A1 (0.47) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL8421140 0.82 ALDH1A1 (0.47) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL8421148 0.81 CTDSP1 (0.47) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL8421145 0.81 CTDSP1 (0.47) ALDH1A1LMNAG6PC1MEN1KMT2A
SCHEMBL3650558 0.75 MAPT (0.49) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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-0740654-B1 MONOAMINE OXIDASE B INHIBITORS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF MAYOLY SPINDLER LAB (FR) 1999-10-13 EP disclosed
US-5811456-A TREATMENT OF ALZHEIMER'S DISEASE LABORATOIRES MAYOLY SPINDLER (FR) 1998-09-22 US disclosed
EP-0740654-A1 MONOAMINE OXIDASE B INHIBITORS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF LABORATOIRES MAYOLY SPINDLER (FR) 1996-11-06 EP disclosed
WO-1995019960-A1 MONOAMINE OXIDASE B INHIBITORS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF LABORATOIRES MAYOLY SPINDLER (FR) 1995-07-27 WO disclosed