SCHEMBL8088090

SCHEMBL8088090

NCCCCn1cnc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
HSD17B10 Q99714 1/20 0.56
PRPS1 P60891 2/20 0.51
LMNA P02545 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 1/20 0.45
FGFR1 P11362 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
KCNH2 Q12809 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPK1 P28482 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
SCHEMBL9038637 0.86 MAPT (0.57) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL7877110 0.85 LMNA (0.55) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL8659266 0.85 MAPT (0.53) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL2797606 0.83 PRPS1 (0.55) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL13668156 0.80 PRPS1 (0.50) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL9597222 0.80 KMT2A (0.51) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL9570037 0.80 LMNA (0.51) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL3303214 0.80 NPC1 (0.51) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL30636878 0.79 MAPT (0.50) MAPTHSD17B10PRPS1LMNANPC1
SCHEMBL22135376 0.78 MAPT (0.52) MAPTHSD17B10LMNANPC1RAB9A

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