SCHEMBL8969676

SCHEMBL8969676

COc1cc2c(c(Cl)c1OC)N=C1CCCCCN1C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
BCHE P06276 2/20 0.36
CHKA P35790 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 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
SCHEMBL8970082 0.90 ACHE (0.50) ACHEBCHECHKAALDH1A1MEN1
SCHEMBL8970605 0.82 ACHE (0.55) ACHEBCHEALDH1A1MEN1KMT2A
SCHEMBL8968235 0.81 ACHE (0.50) ACHEBCHEALDH1A1MEN1KMT2A
SCHEMBL8968930 0.81 ACHE (0.47) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL8969467 0.81 ACHE (0.47) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL8968341 0.79 ACHE (0.53) ACHEBCHEALDH1A1MEN1KMT2A
SCHEMBL8968295 0.79 ACHE (0.47) ACHEBCHECHKAALDH1A1MEN1
SCHEMBL8968908 0.78 ACHE (0.46) ACHEBCHEALDH1A1MEN1KMT2A
SCHEMBL8968711 0.78 ACHE (0.47) ACHEALDH1A1MEN1KMT2AMAPT
SCHEMBL8968331 0.78 ACHE (0.47) ACHEALDH1A1MEN1KMT2AMAPT

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