SCHEMBL4845202

SCHEMBL4845202

N#Cc1cccc(-c2ccccc2)c1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
GALR3 O60755 1/20 0.44
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
PTPN5 P54829 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL27895577 0.81 ESR2 (0.69) ESR2KDM4EALDH1A1HPGDGAA
Water SCHEMBL3178714 0.81 ESR2 (0.69) ESR2KDM4EALDH1A1HPGDGAA
SCHEMBL29662886 0.81 ESR2 (0.69) ESR2KDM4EALDH1A1HPGDGAA
SCHEMBL223 0.81 ESR2 (0.69) ESR2KDM4EALDH1A1HPGDGAA
Bromide SCHEMBL27774142 0.79 ESR2 (0.67) ESR2KDM4EALDH1A1HPGDGAA
Fluoride SCHEMBL27583847 0.79 ESR2 (0.67) ESR2KDM4EALDH1A1HPGDGAA
Methane SCHEMBL8312669 0.79 ESR2 (0.67) ESR2KDM4EALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL6985442 0.79 ESR2 (0.67) ESR2KDM4EALDH1A1HPGDGAA
SCHEMBL3032519 0.78 CA1 (0.46) ESR2KDM4EALDH1A1HPGDGAA
SCHEMBL199940 0.78 ALDH1A1 (0.48) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111434-A1 A MATERIAL COMPRISING AN HOST MATRIX, RARE EARTH IONS AND A METAL ATOM CLUSTER AS SENSITISER UNIVERSITE DE RENNES 1 (FR) 2014-07-24 WO disclosed
US-7416683-B2 Liquid crystal mixed composition and retardation film using same NIPPON KAYKU KABUSHIKI KAISHA (JP) 2008-08-26 US disclosed
US-7410680-B2 Can be used with a polarizing film, for an organic electroluminescence type display device, a liquid crystal projector and a liquid crystal display device as a circularly polarizing film, a rotary polarizing film, an elliptically polarizing film, optical film and a composite, contrast and visible angle NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-08-12 US disclosed
US-20070036916-A1 Can be used with a polarizing film, for an organic electroluminescence type display device, a liquid crystal projector and a liquid crystal display device as a circularly polarizing film, a rotary polarizing film, an elliptically polarizing film, optical film and a composite, contrast and visible angle POLATECHNO CO., LTD. (JP) 2007-02-15 US disclosed
EP-1666930-A1 PHASE SHIFT FILMS MADE BY USING CELLULOSE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-07 EP disclosed
US-20060060821-A1 Liquid crystal compound composition and retardation film using same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2006-03-23 US disclosed
EP-1559745-A1 LIQUID CRYSTAL COMPOUND COMPOSITION AND RETARDATION FILM USING SAME Nippon Kayaku Kabushiki Kaisha (JP) 2005-08-03 EP disclosed