SCHEMBL8968545

SCHEMBL8968545

CNC(=O)Oc1ccc2c(c1)CN1C(=N2)C2C=CC1C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
BCHE P06276 3/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
BLM P54132 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL8968441 0.82 MAOA (0.34) ACHE
SCHEMBL8969032 0.79 ACHE (0.31) ACHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL8968787 0.79 ACHE (0.41) ACHEALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8968414 0.78 ACHE (0.36) ACHEPDE3BPDE3ABCHE
SCHEMBL8969440 0.78 ACHE (0.38) ACHEALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8969954 0.73 EGFR (0.34)
SCHEMBL8969002 0.69 ACHE (0.39) ACHEALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL8969195 0.68 ACHE (0.54) ACHEALDH1A1KDM4EHSD17B10PDE3B
SCHEMBL8969224 0.68 CTSD (0.30)
SCHEMBL8968403 0.68

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 3 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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed