SCHEMBL8969856

SCHEMBL8969856

COc1c(Cl)c2c(c(OC)c1Cl)CN1CCCCCC1=N2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.45
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
USP2 O75604 1/20 0.32
INMT O95050 1/20 0.32
BCHE P06276 1/20 0.30

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
SCHEMBL8968908 0.90 ACHE (0.46) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8969580 0.90 ACHE (0.49) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8968995 0.89 ACHE (0.45) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8968417 0.89 ACHE (0.48) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8969642 0.84 ACHE (0.48) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8969047 0.82 ACHE (0.43) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8969183 0.82 ACHE (0.43) ACHEMEN1HTTRECQLKMT2A
SCHEMBL8969467 0.80 ACHE (0.47) ACHEMEN1HTTKMT2A
SCHEMBL8968711 0.80 ACHE (0.47) ACHEMEN1HTTKMT2A
SCHEMBL8969738 0.79 ACHE (0.46) ACHEMEN1HTTKMT2A

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