SCHEMBL8968576

SCHEMBL8968576

Cc1ccc2nc3n(c(=N)c2c1)CCCC3

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
ALDH1A1 P00352 3/20 0.69
ACHE P22303 5/20 0.58
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL8968338 0.99 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1ACHEAPPBCHE
SCHEMBL8968638 0.89 ACHE (0.69) SMN1; SMN2ALDH1A1ACHEBCHEKMT2A
SCHEMBL8969117 0.87 ACHE (0.71) SMN1; SMN2ALDH1A1ACHEBCHEKMT2A
SCHEMBL8968524 0.83 ACHE (0.58) SMN1; SMN2ALDH1A1ACHEAPPBCHE
SCHEMBL8969679 0.83 ACHE (0.78) SMN1; SMN2ALDH1A1ACHEAPPBCHE
SCHEMBL8968581 0.82 ACHE (0.60) SMN1; SMN2ALDH1A1ACHEAPPBCHE
SCHEMBL8969470 0.82 ACHE (0.60) SMN1; SMN2ALDH1A1ACHEAPPBCHE
SCHEMBL8968881 0.82 ACHE (0.80) SMN1; SMN2ALDH1A1ACHEBCHEKMT2A
SCHEMBL8969076 0.81 ACHE (0.63) SMN1; SMN2ALDH1A1ACHEKMT2AMEN1
SCHEMBL24330982 0.79 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KMT2AMEN1HDAC6

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