SCHEMBL8968235

SCHEMBL8968235

COc1cc2c(c(Cl)c1OC)CN1CCCCCC1=N2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL8969109 0.90 ACHE (0.50) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8968362 0.82 ACHE (0.55) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8969467 0.81 ACHE (0.47) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8968930 0.81 ACHE (0.47) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8969676 0.81 ACHE (0.50) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8969580 0.78 ACHE (0.49) ACHEMEN1KMT2AALDH1A1BCHE
SCHEMBL8968908 0.78 ACHE (0.46) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8968331 0.78 ACHE (0.47) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8968711 0.78 ACHE (0.47) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8969738 0.78 ACHE (0.46) ACHEMEN1KMT2AALDH1A1SMN1; SMN2

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