SCHEMBL5083326

SCHEMBL5083326

CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.62
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HPGD P15428 2/20 0.61
MAPK1 P28482 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TTR P02766 1/20 0.61
CYP1A2 P05177 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
RECQL P46063 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTT P42858 4/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL9775523 0.88 HTT (0.64) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL5080677 0.88 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL68433 0.87 GPR35 (0.63) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL574700 0.85 GPR35 (0.54) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL650126 0.85 GPR35 (0.67) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL29385517 0.84 GPR35 (0.76) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL11122889 0.84 GPR35 (0.53) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL134539 0.84 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL4897155 0.84 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL29156519 0.84 GPR35 (0.53) GPR35ALDH1A1KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4745116-A INHIBITORS OF SERINE PROTEASE SYNTEX (U.S.A.) INC. (US) 1988-05-17 US disclosed
US-4665070-A SERINE PROTEINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1987-05-12 US disclosed
EP-0206323-A1 2-Oxy-4H-3,1-benzoxazin-4-one derivatives and related compounds SYNTEX (U.S.A.) INC. (US) 1986-12-30 EP disclosed