SCHEMBL11069867

SCHEMBL11069867

O=C(Oc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.61
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.47
GPR35 Q9HC97 4/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 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
SCHEMBL18884730 0.83 ALDH1A1 (0.48) ALOX5KMT2AALDH1A1MAPTGPR35
SCHEMBL11179642 0.82 ALOX5 (0.68) ALOX5KMT2AALDH1A1MAPTHPGD
Trinitrophenol SCHEMBL31588613 0.82 CRHBP (0.57) ALOX5CRHBPCRHR2KMT2AALDH1A1
SCHEMBL10489198 0.81 ALOX5 (0.50) ALOX5CRHBPCRHR2KMT2AALDH1A1
SCHEMBL28323232 0.81 GPR35 (0.58) KMT2AALDH1A1MAPTGPR35HPGD
Trinitrophenol SCHEMBL28093054 0.80 ALOX5 (0.57) ALOX5CRHBPCRHR2KMT2AALDH1A1
SCHEMBL8925933 0.80 ALOX5 (0.60) ALOX5CRHBPCRHR2KMT2AALDH1A1
Trinitrophenol SCHEMBL31588300 0.80 GPR35 (0.54) ALOX5CRHBPCRHR2KMT2AALDH1A1
Trinitrophenol SCHEMBL28816541 0.79 BCL9 (0.63) ALOX5CRHBPCRHR2KMT2AALDH1A1
3,5-Dinitrosalicylic Acid SCHEMBL28403510 0.79 GPR35 (0.59) CRHBPCRHR2KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110330963-B Redox-responsive color-changing rare earth supermolecule gel fluorescent material and preparation thereof 华中科技大学 2020-06-02 CN claimed
CN-110330963-A The discoloration rare earth supermolecular gel fluorescent material of redox response and its preparation 华中科技大学 2019-10-15 CN claimed
US-4439278-A DINITRO-HYDROXYBENZOIC ACIDS OR ESTERS AS POLYMERIZATION INHIBITORS EASTMAN KODAK COMPANY (US) 1984-03-27 US claimed
CN-110330963-B Redox-responsive color-changing rare earth supermolecule gel fluorescent material and preparation thereof 华中科技大学 2020-06-02 CN disclosed
CN-110330963-A The discoloration rare earth supermolecular gel fluorescent material of redox response and its preparation 华中科技大学 2019-10-15 CN disclosed
US-4439278-A DINITRO-HYDROXYBENZOIC ACIDS OR ESTERS AS POLYMERIZATION INHIBITORS EASTMAN KODAK COMPANY (US) 1984-03-27 US disclosed