SCHEMBL8969790

SCHEMBL8969790

COc1ccc2c(c1OC)N=C1CCCCN1C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.51
BCHE P06276 1/20 0.41
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F3 P13726 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL8968341 0.99 ACHE (0.53) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8968561 0.82 ACHE (0.63) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8970082 0.80 ACHE (0.50) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8969676 0.77 ACHE (0.50) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8970605 0.76 ACHE (0.55) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8968431 0.76 ACHE (0.45) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8968295 0.75 ACHE (0.47) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8968930 0.74 ACHE (0.47) ACHEALDH1A1MEN1KMT2AMAPK1
SCHEMBL8968742 0.74 ACHE (0.56) ACHEBCHEALDH1A1CYP3A4MEN1
SCHEMBL8969588 0.73 ACHE (0.55) ACHEBCHEALDH1A1CYP3A4MEN1

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