SCHEMBL41321

SCHEMBL41321

O=[N+]([O-])c1[c]c(O)ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.45
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 3/20 0.37
ERN1 O75460 1/20 0.36
S100A4 P26447 1/20 0.35
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CTSB P07858 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34

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
SCHEMBL58486 0.84 TSHR (0.46) GPR35TSHRALDH1A1ALOX15LMNA
SCHEMBL2892612 0.78 GPR35 (0.31) GPR35
SCHEMBL3317507 0.74 ALDH1A1 (0.41) GPR35TSHRALDH1A1LMNATDP1
SCHEMBL261451 0.74 TDP1 (0.45) GPR35TSHRALDH1A1LMNATDP1
SCHEMBL6310965 0.74 TSHR (0.38) GPR35TSHRALDH1A1ALOX15LMNA
SCHEMBL2350187 0.74 TSHR (0.38) GPR35TSHRALDH1A1ALOX15LMNA
SCHEMBL2204741 0.74 TP53 (0.42) GPR35TSHRALDH1A1ALOX15LMNA
SCHEMBL27443375 0.72 ALDH1A1 (0.41) GPR35TSHRALDH1A1ALOX15LMNA
SCHEMBL28573901 0.70 GPR35 (0.50) GPR35TSHRALDH1A1LMNATDP1
SCHEMBL3297299 0.69 ALDH1A1 (0.41) TSHRALDH1A1LMNATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130101517-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-04-25 US claimed
EP-2550338-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING National University of Singapore (SG) 2013-01-30 EP claimed
WO-2011119114-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-09-29 WO claimed
WO-2024108068-A2 METHODS OF EVALUATING VIRUS-PRODUCING CELLS BRUKER CELLULAR ANALYSIS, INC. (US) 2024-05-23 WO disclosed
WO-2024077101-A2 COMPOSITIONS FOR MICROFLUDIC WORKFLOWS AND METHODS OF USE THEREOF BRUKER CELLULAR ANALYSIS, INC. (US) 2024-04-11 WO disclosed
WO-2024076923-A1 MICRO-OBJECT DISPLACEMENT WITHIN A MICROFLUIDIC ENVIRONMENT BRUKER CELLULAR ANALYSIS, INC. (US) 2024-04-11 WO disclosed
US-20230375447-A1 METHOD FOR ASSAYING A MICRO-OBJECT WITHIN A MICROFLUIDIC DEVICE BRUKER SPATIAL BIOLOGY, INC. 2023-11-23 US disclosed
WO-2023147334-A9 METHODS OF ASSAYING MICRO-OBJECTS IN A MICROFLUIDIC DEVICE Berkeley Lights, Inc. (US) 2023-08-31 WO disclosed
WO-2023164623-A2 APPARATUSES, METHODS, AND KITS FOR MICROFLUIDIC ASSAYS Berkeley Lights, Inc. (US) 2023-08-31 WO disclosed
WO-2023147334-A1 METHODS OF ASSAYING MICRO-OBJECTS IN A MICROFLUIDIC DEVICE Berkeley Lights, Inc. (US) 2023-08-03 WO disclosed
US-20230182136-A1 IN SITU-GENERATED MICROFLUIDIC ISOLATION STRUCTURES, KITS AND METHODS OF USE THEREOF Berkeley Lights, Inc. (US) 2023-06-15 US disclosed
US-20130101517-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-04-25 US disclosed
CN-101243039-B PPAR receptor and EGF receptor specific compounds and salts thereof and their use in the medical field GIULIANI INT LTD 2013-04-03 CN disclosed
CN-102020577-B Compounds and their salts specific to the ppar receptors and the egf receptors and their use in the medical field GIULIANI INT LTD 2013-03-13 CN disclosed
EP-2550338-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING National University of Singapore (SG) 2013-01-30 EP disclosed
WO-2012002911-A1 METHODS AND COMPOSITIONS FOR CELLULAR IMAGING AND CANCER CELL DETECTION USING LIGHT HARVESTING CONJUGATED POLYMER- BIOMOLECULAR CONJUGATES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-01-05 WO disclosed
WO-2011119114-A1 DEVELOPMENT OF PHOTOSTABLE NEAR-IR CYANINE DYES FOR IN VIVO IMAGING NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-09-29 WO disclosed
CN-102020577-A Compounds and their salts specific to the ppar receptors and the egf receptors and their use in the medical field GIULIANI INT LTD 2011-04-20 CN disclosed
CN-101243039-A PPAR receptor and EGF receptor specific compounds and salts thereof and their use in the medical field GIULIANI INT LTD (IE) 2008-08-13 CN disclosed
CN-1129442-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-08-21 CN disclosed