SCHEMBL8968331

SCHEMBL8968331

COc1cc(Cl)c(OC)c2c1CN1CCCCCC1=N2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.47
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
HTT P42858 1/20 0.33
S1PR1 P21453 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
SCHEMBL8968930 0.90 ACHE (0.47) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968711 0.90 ACHE (0.47) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969467 0.88 ACHE (0.47) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969738 0.85 ACHE (0.46) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969580 0.81 ACHE (0.49) ACHEALDH1A1MEN1KMT2AHTT
SCHEMBL8968362 0.80 ACHE (0.55) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969839 0.80 ACHE (0.46) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8970605 0.80 ACHE (0.55) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8968995 0.80 ACHE (0.45) ACHEMEN1KMT2AHTT
SCHEMBL8969642 0.80 ACHE (0.48) ACHEALDH1A1SMN1; SMN2MEN1KMT2A

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