SCHEMBL8093025

SCHEMBL8093025

COc1ccc(-c2cn(CCCCN)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TLR8 Q9NR97 1/20 0.46
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
LTA4H P09960 1/20 0.42
SYK P43405 2/20 0.41
HASPIN Q8TF76 4/20 0.41
DYRK2 Q92630 1/20 0.41
ATM Q13315 1/20 0.41
QPCT Q16769 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8656078 0.86 MAPT (0.49) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL8918413 0.86 MEN1 (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL8093058 0.85 TLR8 (0.51) MAPTSMN1; SMN2TLR8SYKKDM4E
SCHEMBL8091115 0.83 MMP2 (0.47) MAPTMAPK1KDM4ENPC1RAB9A
SCHEMBL4868781 0.83 CYP11B1 (0.43) SYK
SCHEMBL7030913 0.82 TLR8 (0.41) MEN1KMT2ALMNAMAPTTLR8
SCHEMBL8086790 0.81 MAPK13 (0.42) TLR8SYKHASPINQPCT
SCHEMBL6421708 0.81 TLR8 (0.42) MAPTTLR8LTA4HSYKKDM4E
SCHEMBL4869521 0.81 PDE10A (0.46) TLR8NPC1RAB9A
SCHEMBL4871159 0.80 CYP2E1 (0.41) HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed