SCHEMBL16016113

SCHEMBL16016113

O=NC(=O)c1cccc(-n2c(-c3ccccn3)cc3c2CCc2ccccc2-3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.45
GRM5 P41594 3/20 0.33
PARP1 P09874 1/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 2/20 0.31
SLC11A2 P49281 1/20 0.31
NPC1 O15118 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
AKT1 P31749 1/20 0.31
BRD4 O60885 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
SCHEMBL2996128 0.89 SERPINE1 (0.52) SERPINE1SRD5A1SRD5A2MAPTSMN1; SMN2
SCHEMBL12091824 0.80 SERPINE1 (0.51) SERPINE1PARP1SRD5A1SRD5A2MAPT
SCHEMBL12091799 0.78 SERPINE1 (0.62) SERPINE1SRD5A1SRD5A2SMN1; SMN2MEN1
SCHEMBL2994258 0.76 KDM4E (0.42) SERPINE1GRM5HTR1AHTR7
SCHEMBL2993810 0.74 SERPINE1 (0.60) SERPINE1SRD5A1SRD5A2MAPTSMN1; SMN2
SCHEMBL2996651 0.74 SERPINE1 (0.69) SERPINE1SRD5A1SRD5A2MAPTSMN1; SMN2
SCHEMBL2981885 0.74 SERPINE1 (0.52) SERPINE1GRM5SRD5A1SRD5A2MAPT
SCHEMBL2994026 0.73 SERPINE1 (0.64) SERPINE1PARP1SRD5A1SRD5A2MAPT
SCHEMBL2987677 0.72 SERPINE1 (0.63) SERPINE1SRD5A1SRD5A2MAPTSMN1; SMN2
SCHEMBL2991502 0.72 SERPINE1 (0.57) SERPINE1SRD5A1SRD5A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed