SCHEMBL1479104

SCHEMBL1479104

O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.59
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
TTR P02766 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
PMP22 Q01453 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL69964 1.00 GPR35 (0.59) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL9724485 0.98 GPR35 (0.57) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL29780335 0.98 GPR35 (0.57) GPR35ALDH1A1KDM4EMEN1TTR
Ammonia Solution, Strong SCHEMBL11020682 0.98 GPR35 (0.57) GPR35ALDH1A1KDM4EMEN1TTR
Potassium Ion SCHEMBL1477825 0.95 GPR35 (0.55) GPR35ALDH1A1KDM4EMEN1TTR
Methyl Alcohol SCHEMBL29086960 0.95 GPR35 (0.59) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL4973651 0.91 GPR35 (0.55) GPR35ALDH1A1KDM4EMEN1TTR
Guanidine SCHEMBL4221122 0.89 GPR35 (0.50) GPR35ALDH1A1KDM4EMEN1TTR
Peroxynitrite SCHEMBL28967147 0.86 GPR35 (0.47) GPR35ALDH1A1KDM4EMEN1TTR
Potassium Ion SCHEMBL6377633 0.85 GPR35 (0.50) GPR35ALDH1A1KDM4EMEN1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183391-A1 Biosynthesis of Phloroglucinol and Preparation of 1,3-Dihydroxybenzene Therefrom BOARD OF TRUSTEES OF MICHIGAN STATE OF UNIVERSITY (US) 2011-07-28 US disclosed
US-7943362-B2 Biosynthesis of phloroglucinol and preparation of 1,3-dihydroxybenzene therefrom BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2011-05-17 US disclosed
US-7915456-B2 Salts of styphnic acid RAUG AMMOTEC GMBH (DE) 2011-03-29 US disclosed
US-3983149-A LEAD STYPHNATE REMINGTON ARMS COMPANY, INC. (US) 1976-09-28 US disclosed