SCHEMBL8022948

SCHEMBL8022948

c1ccc(CNc2c3c(nc4ccccc24)CCC3)cc1

nearest known ligand 0.97

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.97
HTT P42858 2/20 0.97
KMT2A Q03164 2/20 0.97
KDM4E B2RXH2 1/20 0.97
ACHE P22303 12/20 0.85
BCHE P06276 9/20 0.85
BACE1 P56817 1/20 0.85
LMNA P02545 1/20 0.69

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
SCHEMBL3366446 0.97 KDM4E (0.92) MEN1HTTKMT2AKDM4EACHE
SCHEMBL15155625 0.87 KDM4E (0.74) MEN1HTTKMT2AKDM4EACHE
SCHEMBL12043396 0.86 BCHE (0.92) MEN1HTTKMT2AKDM4EACHE
SCHEMBL29062227 0.85 KDM4E (0.72) MEN1HTTKMT2AKDM4EACHE
SCHEMBL3361969 0.85 KDM4E (0.72) MEN1HTTKMT2AKDM4EACHE
SCHEMBL13480595 0.84 BCHE (0.76) ACHEBCHEBACE1
SCHEMBL12043399 0.83 BCHE (0.97) ACHEBCHEBACE1
SCHEMBL16223230 0.83 ACHE (0.72) MEN1HTTKMT2AKDM4EACHE
SCHEMBL12043397 0.82 BCHE (0.95) ACHEBCHEBACE1
SCHEMBL12043400 0.82 BCHE (0.95) ACHEBCHEBACE1

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-6130228-A Polycyclic compounds UNIVERSITY OF STRATHCLYDE (GB) 2000-10-10 US disclosed