SCHEMBL8968476

SCHEMBL8968476

COc1cc2nc3n(c(=N)c2cc1OC)CCCCC3

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.59
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RXFP1 Q9HBX9 2/20 0.44
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.42
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 3/20 0.41
STAT6 P42226 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8969076 0.82 ACHE (0.63) ACHEALDH1A1SMN1; SMN2TP53MEN1
SCHEMBL8969409 0.79 ACHE (0.63) ACHEALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL8968607 0.79 ACHE (0.71) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969040 0.78 ACHE (0.46) ACHEALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL3899169 0.78 SMN1; SMN2 (0.60) ACHEALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL8969258 0.77 ACHE (0.60) ACHEALDH1A1SMN1; SMN2BCHEMEN1
SCHEMBL8969447 0.77 ACHE (0.68) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968338 0.77 SMN1; SMN2 (0.71) ACHEALDH1A1SMN1; SMN2TP53APP
SCHEMBL8969117 0.77 ACHE (0.71) ACHEALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL8969913 0.75 ACHE (0.49) ACHEALDH1A1SMN1; SMN2RXFP1TP53

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed