SCHEMBL5083291

SCHEMBL5083291

CCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.61
ESR1 P03372 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL12776819 0.90 GPR35 (0.56) GPR35ALDH1A1CA12CA1CA2
SCHEMBL4970067 0.89 GPR35 (0.61) GPR35ESR1ALDH1A1CRHBPCRHR2
SCHEMBL6838195 0.87 GPR35 (0.47) GPR35ESR1ALDH1A1CA12CA1
SCHEMBL29017090 0.87 GPR35 (0.47) GPR35ESR1ALDH1A1CA12CA1
SCHEMBL8297049 0.84 RAB9A (0.59) ALDH1A1KDM4ETTRMAPTTDP1
SCHEMBL11062713 0.84 GPR35 (0.44) GPR35ESR1ALDH1A1KDM4EMEN1
SCHEMBL29017103 0.84 GPR35 (0.44) GPR35ESR1ALDH1A1KDM4EMEN1
SCHEMBL28475771 0.84 FBP1 (0.46) GPR35ESR1ALDH1A1CRHBPCRHR2
SCHEMBL5078798 0.84 GPR35 (0.57) GPR35ESR1ALDH1A1CRHBPCRHR2
SCHEMBL11069085 0.83 GPR35 (0.43) GPR35ESR1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474646-A DINITROPHENOIS THE SHERWIN-WILLIAMS COMPANY (US) 1984-10-02 US claimed
US-4457806-A 2,6-DINITRO-4-ETHYLPHENOL THE SHERWIN-WILLIAMS COMPANY (US) 1984-07-03 US claimed
US-20080200616-A1 Method of Inhibiting Polymerization Giving Copolymer of Divinylbenzene and Aromatic Vinyl Compound HAKUTO CO,. LTD. (JP) 2008-08-21 US disclosed
EP-1813585-A1 METHOD OF INHIBITING POLYMERIZATION GIVING COPOLYMER OF DIVINYLBENZENE AND AROMATIC VINYL COMPOUND Hakuto Co., Ltd (JP) 2007-08-01 EP disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
JP-2006176417-A METHOD FOR CONTROLLING POLYMERIZATION OF AROMATIC VINYL COMPOUND HAKUTO CO LTD 2006-07-06 JP disclosed
EP-0226064-B1 IMPROVED DEHYDROGENATION PROCESS FOR PRODUCTION OF STYRENE FROM ETHYLBENZENE COMPRISING LOW TEMPERATURE HEAT RECOVERY AND MODIFICATION OF THE ETHYL-BENZENE-STEAM FEED THEREWITH Lummus Crest, Inc. (US) 1990-04-18 EP disclosed
EP-0222248-B1 METHOD FOR THE DISTILLATION OF STYRENE BASF Aktiengesellschaft (DE) 1989-06-28 EP disclosed
EP-0226064-A2 Improved dehydrogenation process for production of styrene from ethylbenzene comprising low temperature heat recovery and modification of the ethyl-benzene-steam feed therewith Lummus Crest, Inc. (US) 1987-06-24 EP disclosed
EP-0222248-A1 Method for the distillation of styrene BASF Aktiengesellschaft (DE) 1987-05-20 EP disclosed
US-4628136-A Dehydrogenation process for production of styrene from ethylbenzene comprising low temperature heat recovery and modification of the ethylbenzene-steam feed therewith LUMMUS CREST, INC. (US) 1986-12-09 US disclosed
US-4474646-A DINITROPHENOIS THE SHERWIN-WILLIAMS COMPANY (US) 1984-10-02 US disclosed
US-4457806-A 2,6-DINITRO-4-ETHYLPHENOL THE SHERWIN-WILLIAMS COMPANY (US) 1984-07-03 US disclosed
US-4457806-A 2,6-DINITRO-4-ETHYLPHENOL THE SHERWIN-WILLIAMS COMPANY (US) 1984-07-03 US disclosed