SCHEMBL5812348

SCHEMBL5812348

CN(C)C1CCN(c2nc(-c3cccs3)c(-c3ccc(=O)[nH]n3)s2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KLF5 Q13887 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
JAK2 O60674 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HTR2B P41595 2/20 0.33
HTR6 P50406 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5799269 0.83 CHEK2 (0.36) NPC1RAB9APIM1PIM3PIM2
SCHEMBL5795750 0.76 MCHR1 (0.37) MCHR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5797441 0.73 MAPK8 (0.42) MCHR1PIM1PIM3PIM2HTR2B
SCHEMBL5795957 0.67 MCHR1 (0.37) MCHR1ALDH1A1KDM4EPIM1PIM3
SCHEMBL12595917 0.66 LMNA (0.42) MCHR1MEN1KMT2APIM1PIM3
SCHEMBL12595902 0.66 LMNA (0.42) MCHR1MEN1KMT2APIM1PIM3
SCHEMBL8481298 0.65 GPR119 (0.58) GPR119ALDH1A1MAPTMEN1KMT2A
SCHEMBL23965806 0.64 RAB9A (0.52) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12648936 0.64 WDR5 (0.47) MCHR1
SCHEMBL12648976 0.64 WDR5 (0.47) MCHR1

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
WO-2006038734-A1 PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS ASTELLAS PHARMA INC. (JP) 2006-04-13 WO disclosed