SCHEMBL679338

SCHEMBL679338

O=[N+]([O-])c1ccc(CCO)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
GPR35 Q9HC97 2/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 2/20 0.53
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL30291130 1.00 CYP1A2 (0.65) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL28813204 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL27961047 0.88 CYP1A2 (0.68) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL9687971 0.88 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL3124261 0.87 CYP1A2 (0.67) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL6295397 0.87 TSHR (0.58) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL14676050 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL14844290 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL10890268 0.85 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRGPR35MAPK1
SCHEMBL10891708 0.85 CYP1A2 (0.64) CYP1A2ALDH1A1TSHRGPR35MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102924962-A Method for preparing novel rhodamine laser dye UNIV EAST CHINA SCIENCE & TECH 2013-02-13 CN claimed
US-5256799-A Preparation of 6-hydroxyindolines and their use for preparation of novel laser dyes THE UNITED STATES OF AMERICAS AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-10-26 US claimed
EP-4634327-A1 COMPOSITION FOR FORMING A LIQUID CRYSTAL ALIGNMENT FILM Rolic Technologies AG (CH) 2025-10-22 EP disclosed
US-20250180952-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2025-06-05 US disclosed
EP-4493638-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2025-01-22 EP disclosed
WO-2024125945-A1 COMPOSITION FOR FORMING A LIQUID CRYSTAL ALIGNMENT FILM Rolic Technologies AG (CH) 2024-06-20 WO disclosed
CN-118043733-A Polymer dispersed liquid crystal element and method for manufacturing same 日产化学株式会社 2024-05-14 CN disclosed
CN-110392725-B Photoalignment composition for stabilizing pretilt angle in liquid crystal layer 罗利克技术有限公司 2023-12-01 CN disclosed
WO-2023174773-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2023-09-21 WO disclosed
US-11561440-B2 Photoalignment composition for the stabilization of the pre-tilt angle in liquid crystal layers Rolic Technologies AG (CH) 2023-01-24 US disclosed
US-11561440-B2 Photoalignment composition for the stabilization of the pre-tilt angle in liquid crystal layers Rolic Technologies AG (CH) 2023-01-24 US disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 US disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 EP disclosed
EP-0830362-A4 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0830362-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1998-03-25 EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 WO disclosed
WO-1996040693-A1 PROCESS FOR THE SYNTHESIS OF VINYL SULFENIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1996-12-19 WO disclosed
US-5256799-A Preparation of 6-hydroxyindolines and their use for preparation of novel laser dyes THE UNITED STATES OF AMERICAS AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1993-10-26 US disclosed