SCHEMBL9406790

SCHEMBL9406790

COc1ccc(N)c2nc3c(cc12)CCCC3

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
POLB P06746 4/20 0.44
MAPT P10636 8/20 0.43
TP53 P04637 4/20 0.43
ACHE P22303 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
IDO1 P14902 1/20 0.39
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
EEF2K O00418 1/20 0.38
LMNA P02545 2/20 0.37
BCHE P06276 2/20 0.37
CHRM1 P11229 1/20 0.37
GRIN1 Q05586 1/20 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
SCHEMBL9406832 0.82 NPC1 (0.56) NPC1POLBMAPTTP53ACHE
SCHEMBL9406649 0.78 NPC1 (0.43) NPC1POLBMAPTACHESMN1; SMN2
SCHEMBL9455514 0.73 KDM4E (0.52) NPC1POLBMAPTTP53ACHE
SCHEMBL9406604 0.71 NPC1 (0.46) NPC1POLBMAPTTP53ACHE
SCHEMBL3792562 0.69 PRNP (0.42) NPC1POLBMAPTTP53ACHE
SCHEMBL9406553 0.69 KDM4E (0.41) NPC1POLBMAPTTP53SMN1; SMN2
SCHEMBL5117887 0.68 NPC1 (0.53) NPC1MAPTTP53ACHESMN1; SMN2
SCHEMBL5114888 0.66 NPC1 (0.50) NPC1POLBMAPTTP53ACHE
SCHEMBL15886676 0.65 PRNP (0.52) NPC1MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL23195662 0.64 NPC1 (0.48) NPC1MAPTTP53SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328535-B1 THE ADMINISTRATION OF MONOAMINE ACRIDINES IN CHOLINERGIC NEURONAL DEFICIT STATES SUMMERS WILLIAM KOOPMANS (US) 1994-06-01 EP disclosed
EP-0595365-A1 Pharmaceutical composition for the treatment of underlying nonpharmacologically induced nervous system cholinergic deficit state comprising monoamine acridine derivatives Summers, William Koopmans (US) 1994-05-04 EP disclosed
US-4816456-A Administration of monoamine acridines in cholinergic neuronal deficit states SUMMERS WILLIAM K (US) 1989-03-28 US disclosed