SCHEMBL8968908

SCHEMBL8968908

COc1c(Cl)c2c(c(Cl)c1OC)N=C1CCCCCN1C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.46
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ATM Q13315 1/20 0.34
USP2 O75604 2/20 0.33
INMT O95050 1/20 0.33
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCHE P06276 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 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
SCHEMBL8969047 0.91 ACHE (0.43) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8969642 0.90 ACHE (0.48) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8968417 0.90 ACHE (0.48) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8969856 0.90 ACHE (0.45) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8968995 0.90 ACHE (0.45) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8969580 0.86 ACHE (0.49) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8969183 0.83 ACHE (0.43) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8969287 0.81 ACHE (0.49) ACHEMEN1KMT2AHTTRECQL
SCHEMBL8969839 0.80 ACHE (0.46) ACHEMEN1KMT2AHTTALDH1A1
SCHEMBL8969738 0.80 ACHE (0.46) ACHEMEN1KMT2AHTTALDH1A1

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