SCHEMBL29634741

SCHEMBL29634741

Cc1cc(N)c(CCO)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
TERT O14746 1/20 0.39
TDP1 Q9NUW8 3/20 0.33
CASP1 P29466 1/20 0.33
CD44 P16070 1/20 0.33
SKP2 Q13309 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
UHRF1 Q96T88 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
SCHEMBL94261 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Hydrochloric Acid SCHEMBL7861016 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
Hydrochloric Acid SCHEMBL7861014 0.98 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL5694433 0.91 ALDH1A1 (0.61) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL6575833 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL23642752 0.82 ALDH1A1 (0.67) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3342948 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29265971 0.81 PTK2 (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL16932994 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL31265135 0.77 TYR (0.41) ALDH1A1ALOX15CYP3A4TSHRMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118804737-A Dyeing composition in aqueous alcohol medium 花王株式会社 2024-10-18 CN disclosed
CN-118043022-A Composition comprising a dye and an inorganic alkalizing agent 花王株式会社 2024-05-14 CN disclosed
CN-114615967-B Two-component oxidation dyeing composition 花王株式会社 2024-05-14 CN disclosed
CN-114615967-A Two-component oxidation dyeing composition 花王株式会社 2022-06-10 CN disclosed