SCHEMBL10824470

SCHEMBL10824470

O=c1[nH]ccc2nc(N3CCN(Cc4ccccc4)CC3)ncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 2/20 0.48
GRM2 Q14416 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPC5 Q9UL62 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 1/20 0.45
CASP5 P51878 1/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.44

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
SCHEMBL9686594 0.77 HTT (0.52) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL9684556 0.76 LMNA (0.51) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL9298962 0.73 HTT (0.64) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL9685414 0.73 DRD2 (0.49) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL8808175 0.72 HTT (0.65) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL18256926 0.72 DRD4 (0.52) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL10824274 0.72 NPC1 (0.48) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL2800999 0.71 NPC1 (0.51) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL8811787 0.71 LMNA (0.55) LMNAHTTALDH1A1NPC1RAB9A
SCHEMBL8808001 0.71 HTT (0.67) LMNAHTTALDH1A1NPC1RAB9A

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
JP-61076488-A None JP disclosed
JP-S6176488-A PYRIDOPYRIMIDINE DERIVATIVE MITSUI PETROCHEM IND LTD 1986-04-18 JP disclosed