SCHEMBL9112380

SCHEMBL9112380

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.83
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
TTR P02766 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 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
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL9115584 0.91 GPR35 (1.00) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL31053019 0.85 GPR35 (0.74) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL31474764 0.83 GPR35 (0.71) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL11285928 0.83 GPR35 (0.71) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL1283748 0.82 GPR35 (0.64) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL9283096 0.81 GPR35 (0.63) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL6010796 0.81 GPR35 (0.63) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL5635542 0.80 GPR35 (0.61) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL6010888 0.80 GPR35 (0.61) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL8044810 0.80 GPR35 (0.61) 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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924090-A Method for synthesizing 2-chloro-4, 6-dinitroresorcinol 中国石油化工股份有限公司 2024-04-26 CN claimed
CN-113336659-A Method for treating residues containing 4, 6-diaminoresorcinol hydrochloride 中石化南京化工研究院有限公司 2021-09-03 CN claimed
CN-111269130-A Method for preparing 4, 6-diamino resorcinol hydrochloride 青岛新通道合成技术有限公司 2020-06-12 CN claimed
CN-107973723-B Preparation method of 4, 6-diaminoresorcinol hydrochloride 中国石油化工股份有限公司 2020-04-28 CN claimed
CN-110627663-A Method for separating and recycling catalyst 中国石油化工股份有限公司 2019-12-31 CN claimed
CN-107868006-B A kind of method of purification of the chloro- 4,6- dinitroresorcinol of 2- 中国石油化工股份有限公司 2019-08-02 CN claimed
CN-105461575-B The preparation method of 4,6- diamino resorcins or its salt 江苏尚莱特医药化工材料有限公司 2018-07-03 CN claimed
CN-107868006-A A kind of method of purification of the dinitroresorcinol of 2 chlorine 4,6 中国石油化工股份有限公司 2018-04-03 CN claimed
CN-105461575-A Preparation method of 4,6-diamidoresorcinol or salts thereof JIANGSU SUNLIGHT PHARMACEUTICAL CHEMICAL MAT CO LTD 2016-04-06 CN claimed
CN-101811972-A Method for separating and purifying 2-chlorine-4,6-dinitroresorcinol in dilution crystallization method HARBIN INST OF TECHNOLOGY 2010-08-25 CN claimed
EP-0632800-A1 PROCESS FOR REDUCING AROMATIC HALO-DINITRO-DIOLS IN THE PRESENCE OF HYDROGEN HALIDE THE DOW CHEMICAL COMPANY (US) 1995-01-11 EP claimed
US-5360932-A Process for reducing aromatic halo-dinitro-diols in the presence of hydrogen halide THE DOW CHEMICAL COMPANY (US) 1994-11-01 US claimed
US-RE34745-E High purity process for the preparation of 4,6-diamino-1,3-benzenediol THE DOW CHEMICAL COMPANY (US) 1994-09-27 US claimed
WO-1993019035-A1 PROCESS FOR REDUCING AROMATIC HALO-DINITRO-DIOLS IN THE PRESENCE OF HYDROGEN HALIDE THE DOW CHEMICAL COMPANY (US) 1993-09-30 WO claimed
EP-0484404-A4 AQUEOUS REDUCTION PROCESS FOR HALO-NITRO-PHENOLS 1992-07-01 EP claimed
EP-0484404-A1 AQUEOUS REDUCTION PROCESS FOR HALO-NITRO-PHENOLS THE DOW CHEMICAL COMPANY (US) 1992-05-13 EP claimed
WO-1991001967-A1 AQUEOUS REDUCTION PROCESS FOR HALO-NITRO-PHENOLS THE DOW CHEMICAL COMPANY (US) 1991-02-21 WO claimed
US-4766244-A INITRATION OF 1,2,3-TRIHALOBENZENE, REACTING WITH BASE, HYDROGENATION THE DOW CHEMICAL COMPANY (US) 1988-08-23 US claimed
WO-1988003131-A1 HIGH PURITY PROCESS FOR THE PREPARATION OF 4,6-DIAMINO-1,3-BENZENEDIOL THE DOW CHEMICAL COMPANY (US) 1988-05-05 WO claimed
EP-0266222-A1 High purity process for the preparation of 4,6-diamino-1,3-benzenediol THE DOW CHEMICAL COMPANY (US) 1988-05-04 EP claimed