SCHEMBL8969839

SCHEMBL8969839

COc1cc(OC)c2c(c1Cl)CN1CCCCCC1=N2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.46
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8969738 0.90 ACHE (0.46) ACHEALDH1A1SMN1; SMN2HTTSUV39H2
SCHEMBL8968711 0.85 ACHE (0.47) ACHEALDH1A1SMN1; SMN2HTTSUV39H2
SCHEMBL8968908 0.80 ACHE (0.46) ACHEALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8969109 0.80 ACHE (0.50) ACHEALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8970082 0.80 ACHE (0.50) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969467 0.80 ACHE (0.47) ACHEALDH1A1SMN1; SMN2HTTSUV39H2
SCHEMBL8968331 0.80 ACHE (0.47) ACHEALDH1A1SMN1; SMN2HTTSUV39H2
SCHEMBL8968930 0.80 ACHE (0.47) ACHEALDH1A1SMN1; SMN2HTTSUV39H2
SCHEMBL8969642 0.79 ACHE (0.48) ACHEALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8968995 0.79 ACHE (0.45) ACHEHTTMEN1KMT2A

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