SCHEMBL7770592

SCHEMBL7770592

CCOC(=O)CN(CC(=O)OCC)Cc1cccc(-c2cc(-c3ccc(OC)c(N)c3)cc(-c3ccccn3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDR P35968 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
ATM Q13315 2/20 0.36
CHRNA7 P36544 2/20 0.35
KLK3 P07288 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CRHR1 P34998 1/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HCRTR1 O43613 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
SCHEMBL8935763 0.94 KDR (0.37) L3MBTL1ADORA2AALDH1A1KDRCYP1A2
SCHEMBL7770333 0.90 ADORA2A (0.44) ADORA2AKDM4EALDH1A1SQORCHRNA7
SCHEMBL7774104 0.89 ADORA2A (0.43) ADORA2AKDM4EALDH1A1SQORATM
SCHEMBL7770566 0.87 ALDH1A1 (0.39) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL7770589 0.87 PPARG (0.41) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL7770369 0.83 PPARG (0.41) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL7717266 0.83 ADORA2A (0.37) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL30803820 0.83 ADORA2A (0.37) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8936038 0.82 ADORA2A (0.37) L3MBTL1ADORA2AKDM4EALDH1A1HPGD
SCHEMBL8935948 0.81 ADORA2A (0.36) L3MBTL1ADORA2AKDM4EALDH1A1HPGD

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-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed