SCHEMBL9500870

SCHEMBL9500870

Cc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.68
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL5472172 0.89 GPR35 (0.63) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL29262876 0.86 GPR35 (0.63) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL28239608 0.86 GPR35 (0.59) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL3500607 0.86 GPR35 (0.57) GPR35ALDH1A1TDP1KDM4EMEN1
Hydrochloric Acid SCHEMBL27931552 0.84 GPR35 (0.58) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL9500817 0.84 GPR35 (0.61) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL2224314 0.83 GPR35 (0.59) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL30785537 0.83 GPR35 (0.59) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL28704051 0.82 GPR35 (0.53) GPR35ALDH1A1TDP1KDM4EMEN1
SCHEMBL1283748 0.82 GPR35 (0.64) GPR35ALDH1A1TDP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108384007-A One birdss of the same feather flock together hydroxyl to phenylene first Benzo-dioxazole polymer, monomer and its preparation and application 金宁人 2018-08-10 CN claimed
CN-103980133-B A kind of method preparing 2-methyl-4,6-diaminoresorcinol dihydrochloride 郑州大学 2016-06-08 CN claimed
CN-103980133-A Method for preparing 2-methyl-4,6-diaminoresorcinol hydrochloride UNIV ZHENGZHOU 2014-08-13 CN claimed
EP-0312931-B1 PROCESS FOR THE PREPARATION OF AMINO-1,3 BENZENEDIOL THE DOW CHEMICAL COMPANY (US) 1993-04-21 EP claimed
US-4982001-A Process for the preparation of amino-1,3-benzenediol THE DOW CHEMICAL COMPANY (US) 1991-01-01 US claimed
EP-0312931-A2 Process for the preparation of amino-1,3 benzenediol THE DOW CHEMICAL COMPANY (US) 1989-04-26 EP claimed
CN-108384007-A One birdss of the same feather flock together hydroxyl to phenylene first Benzo-dioxazole polymer, monomer and its preparation and application 金宁人 2018-08-10 CN disclosed
CN-103980133-B A kind of method preparing 2-methyl-4,6-diaminoresorcinol dihydrochloride 郑州大学 2016-06-08 CN disclosed
CN-103980133-B A kind of method preparing 2-methyl-4,6-diaminoresorcinol dihydrochloride 郑州大学 2016-06-08 CN disclosed
US-8853621-B2 Systems and methods extending the laserspray ionization mass spectrometry concept from atmospheric pressure to vacuum WAYNE STATE UNIVERSITY (US) 2014-10-07 US disclosed
CN-103980133-A Method for preparing 2-methyl-4,6-diaminoresorcinol hydrochloride UNIV ZHENGZHOU 2014-08-13 CN disclosed
CN-103980133-A Method for preparing 2-methyl-4,6-diaminoresorcinol hydrochloride UNIV ZHENGZHOU 2014-08-13 CN disclosed
US-20140027631-A1 Systems and Methods Extending the Laserspray Ionization Mass Spectrometry Concept from Atmospheric Pressure to Vacuum WAYNE STATE UNIVERSITY (US) 2014-01-30 US disclosed
US-5151490-A Phenylene or pyridine ring compounds THE DOW CHEMICAL COMPANY (US) 1992-09-29 US disclosed
US-5021580-A Monomer containing aromatic group, two amine, two hydroxy, and a methyl groups THE DOW CHEMICAL COMPANY (US) 1991-06-04 US disclosed