SCHEMBL634396

SCHEMBL634396

C=Cc1cc[n+]([O-])cc1.C=Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.45
ALDH1A1 P00352 4/20 0.40
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
CASP1 P29466 2/20 0.36
HBB P68871 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
BRCA1 P38398 1/20 0.36
CASP7 P55210 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 2/20 0.31
CYP11B2 P19099 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 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
SCHEMBL28093864 0.88 ALDH1A1 (0.43) HDAC8ALDH1A1MAPTTSHRNPC1
SCHEMBL39012 0.87
SCHEMBL28222778 0.82 ALDH1A1 (0.59) HDAC8ALDH1A1MAPTMEN1CASP1
SCHEMBL14867 0.82
SCHEMBL9405395 0.79
Charcoal, Activated SCHEMBL6425744 0.79
Hydrochloric Acid SCHEMBL220696 0.79
Bromide SCHEMBL3107187 0.79 ALDH1A1 (0.56) HDAC8ALDH1A1MAPTMEN1CASP1
SCHEMBL8609621 0.79
Bromide SCHEMBL153411 0.79

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691503-B2 FABRIC CARE COMPOSITIONS COMPRISING FRONT-END STABILITY AGENTS PROCTER & GAMBLE (US) 2021-08-11 EP disclosed
US-10894932-B2 Fabric care composition comprising glyceride copolymers THE PROCTER & GAMBLE COMPANY (US) 2021-01-19 US disclosed
EP-3746533-A1 LIQUID FABRIC ENHANCERS COMPRISING BRANCHED POLYESTER MOLECULES The Procter & Gamble Company (US) 2020-12-09 EP disclosed
EP-2399978-B2 Stable non-aqueous liquid compositions comprising a cationic polymer in particulate form PROCTER & GAMBLE (US) 2020-11-25 EP disclosed
US-10781402-B2 Liquid fabric enhancers comprising branched polyester molecules THE PROCTER & GAMBLE COMPANY (US) 2020-09-22 US disclosed
US-10640735-B2 Fabric care composition comprising metathesized unsaturated polyol esters THE PROCTER & GAMBLE COMPANY (US) 2020-05-05 US disclosed
EP-3623527-A1 FABRIC CARE COMPOSITION COMPRISING METATHESIZED UNSATURATED POLYOL ESTERS The Procter & Gamble Company (US) 2020-03-18 EP disclosed
EP-3320143-B1 FABRIC CARE COMPOSITION COMPRISING METATHESIZED UNSATURATED POLYOL ESTERS PROCTER & GAMBLE (US) 2019-11-13 EP disclosed
US-20190233763-A1 LIQUID FABRIC ENHANCERS COMPRISING BRANCHED POLYESTER MOLECULES THE PROCTER & GAMBLE COMPANY 2019-08-01 US disclosed
WO-2019148145-A1 LIQUID FABRIC ENHANCERS COMPRISING BRANCHED POLYESTER MOLECULES THE PROCTER & GAMBLE COMPANY (US) 2019-08-01 WO disclosed
WO-2012075212-A1 FABRIC CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2012-06-07 WO disclosed
EP-2419498-A1 FABRIC CARE COMPOSITIONS COMPRISING ORGANOSILOXANE POLYMERS The Procter & Gamble Company (US) 2012-02-22 EP disclosed
US-20110319311-A1 Soluble Unit Dose Articles Comprising A Cationic Polymer THE PROCTER & GAMBLE COMPANY 2011-12-29 US disclosed
WO-2011163428-A1 SOLUBLE UNIT DOSE ARTICLES COMPRISING A CATIONIC POLYMER THE PROCTER & GAMBLE COMPANY (US) 2011-12-29 WO disclosed
WO-2011163371-A1 STABLE NON-AQUEOUS LIQUID COMPOSITIONS COMPRISING A CATIONIC POLYMER IN PARTICULATE FORM THE PROCTER & GAMBLE COMPANY (US) 2011-12-29 WO disclosed
US-20110319314-A1 Stable Non-Aqueous Liquid Compositions Comprising A Cationic Polymer In Particulate Form THE PROCTER & GAMBLE COMPANY 2011-12-29 US disclosed
EP-2399979-A1 Soluble unit dose articles comprising a cationic polymer The Procter & Gamble Company (US) 2011-12-28 EP disclosed
EP-2399978-A1 Stable non-aqueous liquid compositions comprising a cationic polymer in particulate form The Procter & Gamble Company (US) 2011-12-28 EP disclosed
WO-2010120863-A1 FABRIC CARE COMPOSITIONS COMPRISING ORGANOSILOXANE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2010-10-21 WO disclosed
US-20100267601-A1 FABRIC CARE COMPOSITIONS COMPRISING ORGANOSILOXANE POLYMERS THE PROCTER & GAMBLE COMPANY (US) 2010-10-21 US disclosed