SCHEMBL7047827

SCHEMBL7047827

O=[N+]([O-])c1cccc(-c2cccc([N+](=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.63
TSHR P16473 2/20 0.63
S100A4 P26447 2/20 0.57
TDP1 Q9NUW8 4/20 0.56
ALDH1A1 P00352 4/20 0.54
PTPRC P08575 1/20 0.52
KMT2A Q03164 3/20 0.50
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
MCL1 Q07820 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7051298 0.94 TDP1 (0.59) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL5707210 0.88 GPR35 (0.79) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL10435062 0.88 TSHR (0.52) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL118464 0.87 TSHR (0.71) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL1926046 0.87 TSHR (0.71) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL3205545 0.87 GPR35 (0.50) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL8128597 0.87 S100A4 (0.50) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL27340096 0.87 GPR35 (0.70) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL1392515 0.86 TDP1 (0.71) GPR35TSHRS100A4TDP1ALDH1A1
SCHEMBL7759282 0.86 GPR35 (0.53) GPR35TSHRS100A4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116621840-A 6-nitro-7-amino- [1,2,4] triazole [1,5-a ] pyrimidine, synthesis method and application 西安近代化学研究所 2023-08-22 CN disclosed
US-20190072493-A1 DEVICE AND METHOD FOR ON-CHIP CHEMICAL SEPARATION AND DETECTION OREGON STATE UNIVERSITY (US) 2019-03-07 US disclosed
CN-103922941-A Method for synthesizing 2,4-dinitrobenzoic acid UNIV NORTH CHINA 2014-07-16 CN disclosed
US-6787366-B1 COMPRISES PLACING A CHROMOGENIC OR FLUOROGENIC DETECTOR REAGENT ON A CHROMATOGRAPHIC SHEET CONTAINING SORBENT MATERIAL; CAPILLARY TUBES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-09-07 US disclosed
US-6420181-B1 DETECTING PREFERENTIAL PARTICLE IN SOLUTION; OBTAIN SOLUTION CONTAINING PARTICLE, MIX WITH SOLVENT, INSERT INTO TUBE, INCUBATE WITH CHROMOGENIC DETECTION INDICATOR, MONITOR SAMPLE FOR SIGNAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2002-07-16 US disclosed