SCHEMBL8088089

SCHEMBL8088089

Cc1cc2ncn(CCCCN)c2cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.71
MAPT P10636 4/20 0.62
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
P2RX7 Q99572 1/20 0.52
ALDH1A1 P00352 3/20 0.50
KCNH2 Q12809 1/20 0.50
GGPS1 O95749 1/20 0.48
FDPS P14324 1/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.47
FABP6 P51161 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL20083654 0.88 LMNA (0.68) LMNAMAPTTP53HTTMEN1
SCHEMBL9128299 0.84 LMNA (0.71) LMNAMAPTTP53HTTMEN1
SCHEMBL9037446 0.83 LMNA (0.76) LMNAMAPTTP53HTTMEN1
SCHEMBL19911300 0.83 LMNA (1.00) LMNAMAPTTP53HTTMEN1
SCHEMBL9123166 0.83 LMNA (0.69) LMNAMAPTTP53HTTMEN1
SCHEMBL9128979 0.82 LMNA (0.73) LMNAMAPTTP53HTTMEN1
SCHEMBL13668113 0.80 LMNA (0.66) LMNAMAPTTP53HTTMEN1
SCHEMBL15779866 0.80 LMNA (0.81) LMNAMAPTTP53HTTMEN1
SCHEMBL4185454 0.79 LMNA (0.64) LMNAMAPTTP53HTTMEN1
SCHEMBL30199049 0.78 LMNA (0.68) LMNAMAPTTP53HTTMEN1

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 3 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
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed