SCHEMBL10845035

SCHEMBL10845035

COc1ccc(CNc2c3c(nc4ccccc24)CCCC3=O)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.73
BCHE P06276 4/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
PDE5A O76074 2/20 0.58
APP P05067 2/20 0.54
GAA P10253 2/20 0.53
GFER P55789 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TTR P02766 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RAD52 P43351 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9875649 0.87 MEN1 (0.54) ACHEBCHECYP1A2CYP3A4PDE5A
SCHEMBL9875605 0.86 ACHE (0.55) ACHEBCHECYP1A2CYP3A4PDE5A
SCHEMBL9876195 0.85 CYP1A2 (0.51) ACHEBCHECYP1A2CYP3A4PDE5A
SCHEMBL8984077 0.84 KMT2A (0.67) ACHEBCHEKDM4EPOLBRAD52
Water SCHEMBL9876037 0.84 CYP1A2 (0.50) ACHEBCHECYP1A2CYP3A4PDE5A
Water SCHEMBL9876033 0.84 CYP1A2 (0.50) ACHEBCHECYP1A2CYP3A4PDE5A
SCHEMBL9875000 0.83 KDM4E (0.57) ACHEBCHECYP1A2CYP3A4APP
SCHEMBL9875619 0.82 KDM4E (0.54) ACHEBCHECYP1A2CYP3A4PDE5A
SCHEMBL10846227 0.82 KDM4E (0.51) ACHEBCHECYP1A2CYP3A4PDE5A
SCHEMBL9875822 0.81 KMT2A (0.57) ACHEBCHEAPPGAAGFER

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4631286-A MEMORY ENHANCERS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-12-23 US disclosed