SCHEMBL8969524

SCHEMBL8969524

Cc1cc(Cl)c2c(c1C)CN1CCCCCC1=N2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.51
KLK7 P49862 1/20 0.36
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 2/20 0.33
APP P05067 1/20 0.32
USP2 O75604 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
INMT O95050 1/20 0.32

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
SCHEMBL8969376 0.89 ACHE (0.51) ACHEKLK7TP53MAPTBCHE
SCHEMBL8968853 0.89 ACHE (0.51) ACHEKLK7TP53MAPTBCHE
SCHEMBL8969960 0.86 ACHE (0.51) ACHEKLK7TP53MAPTBCHE
SCHEMBL8969798 0.82 ACHE (0.59) ACHETP53MAPTBCHEUSP2
SCHEMBL8969136 0.82 ACHE (0.52) ACHEKLK7TP53MAPTBCHE
SCHEMBL8968960 0.81 ACHE (0.57) ACHEKLK7TP53MAPTBCHE
SCHEMBL8968979 0.81 ACHE (0.50) ACHEKLK7TP53MAPTBCHE
SCHEMBL8968302 0.80 ACHE (0.49) ACHEBCHEUSP2MEN1ALDH1A1
SCHEMBL8969284 0.80 ACHE (0.49) ACHETP53MAPTBCHEAPP
SCHEMBL8968243 0.80 ACHE (0.59) ACHETP53MAPTBCHEUSP2

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