SCHEMBL8991479

SCHEMBL8991479

O=[N+]([O-])c1ccc(C=Cc2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.64
RAB9A P51151 4/20 0.63
MAPT P10636 4/20 0.63
NPC1 O15118 2/20 0.63
FBP1 P09467 1/20 0.62
PTGS2 P35354 6/20 0.59
PTGS1 P23219 2/20 0.59
CYP19A1 P11511 2/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
GALK1 P51570 1/20 0.49
BCHE P06276 1/20 0.49
MAOB P27338 1/20 0.49

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
SCHEMBL8991472 1.00 APP (0.64) APPRAB9AMAPTNPC1FBP1
SCHEMBL458177 0.89 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL9170804 0.89 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL458178 0.89 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL14947048 0.89 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL9170800 0.89 APP (0.78) APPRAB9AMAPTNPC1FBP1
SCHEMBL85535 0.87 MEN1 (0.64) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL19025562 0.84 MEN1 (0.62) RAB9AMAPTNPC1MEN1KMT2A
Fluoride SCHEMBL27503363 0.84 MEN1 (0.62) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL11375977 0.83 APP (0.69) APPRAB9AMAPTNPC1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573477-A Resveratrol imine analogue and preparation method and application thereof 西安医学院 2022-06-03 CN claimed
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 US claimed
JP-3125129-A None JP disclosed
CN-114573477-A Resveratrol imine analogue and preparation method and application thereof 西安医学院 2022-06-03 CN disclosed
US-9575246-B2 Prepolymer, curable material, coating composition, non-linear optical material, optical waveguide and light control device ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-21 US disclosed
EP-2889684-A1 PREPOLYMER, CURABLE MATERIAL, COATING COMPOSITION, NON-LINEAR OPTICAL MATERIAL, OPTICAL WAVEGUIDE AND LIGHT CONTROL DEVICE Asahi Glass Company, Limited (JP) 2015-07-01 EP disclosed
US-20150153509-A1 PREPOLYMER, CURABLE MATERIAL, COATING COMPOSITION, NON-LINEAR OPTICAL MATERIAL, OPTICAL WAVEGUIDE AND LIGHT CONTROL DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2015-06-04 US disclosed
EP-0482207-B1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES (JP) 1996-07-24 EP disclosed
EP-0391212-B1 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1994-05-25 EP disclosed
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
EP-0482207-A1 LAMINATED ORGANIC NONLINEAR OPTICAL CRYSTAL AND PRODUCTION THEREOF TORAY INDUSTRIES, INC. (JP) 1992-04-29 EP disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
JP-H03125129-A WAVELENGTH CONVERTING ELEMENT TORAY IND INC 1991-05-28 JP disclosed
US-4966730-A CAPABILITY OF SECOND HARMONIC GENERATION USING ELECTROOPTICAL MODULAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-30 US disclosed
EP-0391212-A2 Process for preparing bifunctional Z-stilbene compounds, new bifunctional Z-stilbene compounds and their use for preparing polymers BAYER AG (DE) 1990-10-10 EP disclosed
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 US disclosed