SCHEMBL6135817

SCHEMBL6135817

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1.c1ccc(N(c2ccc3ccccc3c2N(c2ccccc2)c2cccc3ccccc23)c2cccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.35
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ERBB2 P04626 1/20 0.30
FYN P06241 1/20 0.30
MAOA P21397 1/20 0.30
ACHE P22303 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL4629104 0.87 SIGMAR1 (0.43) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL13320951 0.84 CYP1A2 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL7065426 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL75967 0.83 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP1A2HPGDHIF1A
SCHEMBL14867161 0.81 SIGMAR1 (0.40) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL14111976 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL371185 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL341863 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL6862787 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL18069056 0.81 SIGMAR1 (0.45) SIGMAR1ALDH1A1HSD17B10CYP1A2HPGD

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
WO-2005033246-A1 GREEN ORGANIC LIGHT-EMITTING DIODES EASTMAN KODAK COMPANY (US) 2005-04-14 WO disclosed