SCHEMBL8970082

SCHEMBL8970082

COc1cc2c(c(OC)c1Cl)N=C1CCCCCN1C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.50
BCHE P06276 2/20 0.36
CHKA P35790 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2C P28335 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
SCHEMBL8969676 0.90 ACHE (0.50) ACHEBCHECHKAALDH1A1LMNA
SCHEMBL8970605 0.85 ACHE (0.55) ACHEBCHEALDH1A1LMNAMAPT
SCHEMBL8968341 0.81 ACHE (0.53) ACHEBCHEALDH1A1LMNAHPGD
SCHEMBL8969109 0.81 ACHE (0.50) ACHEBCHEALDH1A1LMNASMN1; SMN2
SCHEMBL8969839 0.80 ACHE (0.46) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969738 0.80 ACHE (0.46) ACHEALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8969790 0.80 ACHE (0.51) ACHEBCHEALDH1A1LMNAHPGD
SCHEMBL8968295 0.79 ACHE (0.47) ACHEBCHECHKAALDH1A1LMNA
SCHEMBL8969580 0.78 ACHE (0.49) ACHEBCHEALDH1A1LMNAHRH3
SCHEMBL8968331 0.78 ACHE (0.47) ACHEALDH1A1MAPTMAPK1SMN1; 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