SCHEMBL8455609

SCHEMBL8455609

C=Cc1cccn1CCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TLR8 Q9NR97 7/20 0.39
EEF2K O00418 2/20 0.37
EEF2 P13639 2/20 0.37
MEN1 O00255 1/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 1/20 0.37
EGFR P00533 1/20 0.37
TYK2 P29597 1/20 0.37
FLT3 P36888 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
ITK Q08881 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
HTT P42858 5/20 0.37
LMNA P02545 3/20 0.37
APOBEC3A P31941 2/20 0.37

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
SCHEMBL11337902 0.82 TRIM24 (0.50) TLR8EEF2KEEF2MEN1PLK4
SCHEMBL9750772 0.81 TRIM24 (0.48) EEF2KEEF2MEN1PLK4JAK2
SCHEMBL28101657 0.80 CA1 (0.38) CA1CA2TLR8EEF2KEEF2
SCHEMBL19964543 0.79
SCHEMBL1607919 0.76 TRIM24 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31287324 0.76 ALDH1A1 (0.33) CA1CA2NPC1RAB9AALDH1A1
SCHEMBL29226988 0.76 NPC1 (0.35) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL9664699 0.73 EEF2K (0.44) CA1CA2TLR8EEF2KEEF2
SCHEMBL18433170 0.72 EEF2K (0.46) CA1CA2TLR8EEF2KEEF2
SCHEMBL2973033 0.72 TLR8 (0.46) TLR8EEF2KEEF2MEN1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623619-B1 PREPARATION METHOD OF ARENO[e]INDOLS PHARMA MAR S A PHARMAR (ES) 1999-02-03 EP claimed
EP-0623619-B1 PREPARATION METHOD OF ARENO[e]INDOLS PHARMA MAR S A PHARMAR (ES) 1999-02-03 EP disclosed