SCHEMBL6920084

SCHEMBL6920084

CCC(CO)c1cc(N)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.33
PRKCI P41743 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 3/20 0.33
USP2 O75604 3/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
PKM P14618 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 2/20 0.33
ACHE P22303 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 3/20 0.32

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
Sulfuric Acid SCHEMBL10790443 0.92 ALDH1A1 (0.45) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3187941 0.88 CASP1 (0.38) CASP1PRKCIALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL8334339 0.86 GAA (0.39) CASP1PRKCIALDH1A1MAPTMEN1
SCHEMBL3958020 0.79 ANPEP (0.32) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11440073 0.77 NR1I2 (0.38) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28731553 0.77 CASP1 (0.31) CASP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28252267 0.77 CASP1 (0.35) CASP1PRKCIALDH1A1MAPTMEN1
SCHEMBL30120579 0.77 PDE2A (0.39) CASP1PRKCIALDH1A1MAPTMEN1
SCHEMBL27861224 0.77 ALDH1A1 (0.39) CASP1ALDH1A1HSD17B10ALOX15CASP7
SCHEMBL11402718 0.77 PDE2A (0.39) CASP1PRKCIALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797774-B1 MULTILAYER ANALYTICAL ELEMENT IMI INTERNAT MEDICAL INNOVATIO (CA) 2004-11-10 EP claimed
JP-2053715-A None JP disclosed
WO-2023272610-A1 DYE KIT L'OREAL (FR) 2023-01-05 WO disclosed
WO-2023272863-A1 COMBINATION FOR DYEING KERATIN FIBERS AND USE THEREOF L'OREAL (FR) 2023-01-05 WO disclosed
EP-3990120-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND USE THEREOF L'OREAL (FR) 2022-05-04 EP disclosed
WO-2020259216-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND USE THEREOF L'OREAL (FR) 2020-12-30 WO disclosed
WO-2020259214-A1 COMPOSITION FOR DYEING KERATIN FIBRES AND USE THEREOF L'OREAL (FR) 2020-12-30 WO disclosed
CN-107427426-A Cosmetic composition for the oxidation dyeing of keratin fibres comprising a particular combination of cationic polymer and surfactant 莱雅公司 2017-12-01 CN disclosed
WO-2017075811-A1 COMPOSITION FOR THE OXIDATION DYEING KERATIN FIBERS COMPRISING AN ANIONIC POLYMER AND A SPECIFIC NONIONIC SURFACTANT L'OREAL (FR) 2017-05-11 WO disclosed
JP-H0253715-A AUTOXIDATION ONE-PACK HAIR-DYE HOYU CO LTD 1990-02-22 JP disclosed