SCHEMBL7693471

SCHEMBL7693471

Cc1ccc(CNc2nc3cc4ccccc4cc3nc2NCc2ccc(C)o2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NPY5R Q15761 1/20 0.53
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 4/20 0.48
MAPK1 P28482 2/20 0.48
TRPC5 Q9UL62 1/20 0.45
CLK1 P49759 5/20 0.44
CLK2 P49760 4/20 0.44
CLK4 Q9HAZ1 4/20 0.44
DYRK1B Q9Y463 4/20 0.44
HRH4 Q9H3N8 1/20 0.43
DYRK1A Q13627 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40

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
SCHEMBL7695414 0.78 MAPK13 (0.42) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL2248104 0.76 NPC1 (0.46) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL2909658 0.74 NPC1 (0.44) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL3641746 0.73 APP (0.62) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL2910487 0.73 NPY5R (0.46) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL28784483 0.73 NPY5R (0.50) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL30844035 0.72 NPC1 (0.51) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL23200198 0.71 NPC1 (0.48) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL30018800 0.70 NPC1 (0.50) NPC1RAB9ANPY5RHTTLMNA
SCHEMBL5015104 0.70 KCNH3 (0.60) NPC1RAB9A

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-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed