SCHEMBL9406832

SCHEMBL9406832

COc1cc(N)c2nc3c(cc2c1OC)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
MAPT P10636 10/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 5/20 0.41
TP53 P04637 4/20 0.41
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
EEF2K O00418 2/20 0.37
LMNA P02545 1/20 0.36
PDE5A O76074 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL9406790 0.82 NPC1 (0.74) NPC1MAPTACHEKDM4EALDH1A1
SCHEMBL9406604 0.72 NPC1 (0.46) NPC1MAPTACHEKDM4EALDH1A1
SCHEMBL9455514 0.72 KDM4E (0.52) NPC1MAPTACHEKDM4EALDH1A1
SCHEMBL9406553 0.71 KDM4E (0.41) NPC1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL9406649 0.68 NPC1 (0.43) NPC1MAPTACHEKDM4EALDH1A1
SCHEMBL5117887 0.67 NPC1 (0.53) NPC1MAPTACHEKDM4EALDH1A1
SCHEMBL5083088 0.67 TUBB4A (0.39) NPC1MAPTKDM4EALDH1A1RAB9A
SCHEMBL4727819 0.66 NSD2 (0.38) KDM4EALDH1A1SMN1; SMN2POLBTP53
SCHEMBL4729403 0.66 SLC10A2 (0.38) KDM4EALDH1A1SMN1; SMN2TP53HSD17B10
SCHEMBL5114888 0.65 NPC1 (0.50) NPC1MAPTACHEKDM4EALDH1A1

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