SCHEMBL29449447

SCHEMBL29449447

CCOc1ccc(C(C)c2ccc3c(c2)Nc2ccccc2S3)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.53
KCNH2 Q12809 1/20 0.45
GAA P10253 8/20 0.42
MAPT P10636 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALOX15 P16050 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
SNCA P37840 3/20 0.39
CYBB P04839 2/20 0.39
NOX3 Q9HBY0 2/20 0.39
NOX4 Q9NPH5 2/20 0.39
APP P05067 1/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL22960484 1.00 NOX1 (0.53) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960525 0.83 NOX1 (0.58) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960444 0.81 NOX1 (0.55) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960469 0.81 NOX1 (0.54) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960592 0.78 NOX1 (0.51) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960576 0.77 NOX1 (0.70) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960609 0.77 NOX1 (0.62) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960522 0.77 NOX1 (0.55) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960495 0.76 NOX1 (0.68) NOX1KCNH2GAAMAPTMEN1
SCHEMBL22960499 0.76 NOX1 (0.60) NOX1KCNH2GAAMAPTMEN1

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
CN-114181170-B 10H-phenothiazine iron death inhibitor and preparation method and application thereof 成都恒昊创新科技有限公司 2023-03-10 CN disclosed
CN-114181170-A 10H-phenothiazine iron death inhibitor and preparation method and application thereof 成都恒昊创新科技有限公司 2022-03-15 CN disclosed