SCHEMBL5322236

SCHEMBL5322236

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5ccc6cccc7ccc(c4)c5c67)cc3)cc2)c2cc3ccc4cccc5ccc(c2)c3c45)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cc5cccc6c7cccc8cccc(c(c4)c56)c87)cc3)cc2)c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)cc2)c2ccc3c(c2)-c2cccc4cccc-3c24)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cc6cc7ccccc7cc6cc5c4)cc3)cc2)c2ccc3cc4cc5ccccc5cc4cc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
MAOA P21397 1/20 0.42
ACHE P22303 1/20 0.42
AHR P35869 1/20 0.42
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
HIF1A Q16665 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ANPEP P15144 1/20 0.34
TP53 P04637 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.31

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
SCHEMBL6748672 0.90 ERBB2 (0.34) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL4599628 0.89 ALDH1A1 (0.42) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL4435966 0.89 ERBB2 (0.39) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24079000 0.87 ALDH1A1 (0.42) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL4646996 0.86 CYP1A2 (0.41) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL5162895 0.86 ALDH1A1 (0.42) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24079012 0.86 ALDH1A1 (0.45) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL6269118 0.85 ERBB2 (0.34) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24079008 0.85 ALDH1A1 (0.45) ERBB2CYP1A2FYNMAOAACHE
SCHEMBL24079006 0.84 ALDH1A1 (0.39) ERBB2CYP1A2FYNMAOAACHE

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
WO-2007127069-A1 ELECTROLUMINESCENT DEVICE INCLUDING AN ANTHRACENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2007-11-08 WO disclosed
WO-2005060016-A2 WHITE-EMITTING MICROCAVITY OLED DEVICE EASTMAN KODAK COMPANY (US) 2005-06-30 WO disclosed