SCHEMBL8968338

SCHEMBL8968338

Cc1ccc2nc3n(c(=N)c2c1)CCCCC3

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.71
ALDH1A1 P00352 5/20 0.71
ACHE P22303 4/20 0.60
BCHE P06276 2/20 0.49
APP P05067 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8968576 0.99 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1ACHEBCHEAPP
SCHEMBL8969117 0.89 ACHE (0.71) SMN1; SMN2ALDH1A1ACHEBCHEKMT2A
SCHEMBL8968638 0.87 ACHE (0.69) SMN1; SMN2ALDH1A1ACHEBCHEKMT2A
SCHEMBL8968581 0.83 ACHE (0.60) SMN1; SMN2ALDH1A1ACHEBCHEAPP
SCHEMBL8969470 0.83 ACHE (0.60) SMN1; SMN2ALDH1A1ACHEBCHEAPP
SCHEMBL8968881 0.83 ACHE (0.80) SMN1; SMN2ALDH1A1ACHEBCHEKMT2A
SCHEMBL8969076 0.83 ACHE (0.63) SMN1; SMN2ALDH1A1ACHEKMT2AMEN1
SCHEMBL8968524 0.82 ACHE (0.58) SMN1; SMN2ALDH1A1ACHEBCHEAPP
SCHEMBL8969679 0.82 ACHE (0.78) SMN1; SMN2ALDH1A1ACHEBCHEAPP
SCHEMBL8968671 0.80 MEN1 (0.62) SMN1; SMN2ALDH1A1ACHEKMT2AMEN1

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
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed