SCHEMBL5707261

SCHEMBL5707261

O=[N+]([O-])c1ccccc1-c1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.70
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK2A3 Q8NEV1 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
CASP6 P55212 1/20 0.46
S100A4 P26447 2/20 0.46
PTPRC P08575 1/20 0.46
TSHR P16473 1/20 0.46
CTSB P07858 1/20 0.44

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
SCHEMBL5707210 0.91 GPR35 (0.79) GPR35ALDH1A1TDP1MEN1HPGD
SCHEMBL27340096 0.86 GPR35 (0.70) GPR35ALDH1A1TDP1MEN1HPGD
SCHEMBL5707256 0.85 ALDH1A1 (0.59) GPR35ALDH1A1TDP1MEN1HPGD
SCHEMBL7051298 0.85 TDP1 (0.59) GPR35ALDH1A1TDP1MEN1KMT2A
SCHEMBL29516730 0.83 GPR35 (1.00) GPR35ALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL16979 0.83 GPR35 (1.00) GPR35ALDH1A1TDP1HPGDSMN1; SMN2
Nitrophenolate SCHEMBL27762994 0.81 GPR35 (0.89) GPR35ALDH1A1TDP1HPGDSMN1; SMN2
Fluoride SCHEMBL8639543 0.81 GPR35 (0.96) GPR35ALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL18938545 0.81 GPR35 (0.96) GPR35ALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL5492558 0.81 GPR35 (0.96) GPR35ALDH1A1TDP1HPGDSMN1; SMN2

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
EP-1274673-B1 METHOD FOR PRODUCING 4-HYDROXY-3-NITROBIPHENYL SALTIGO GMBH (DE) 2006-10-11 EP disclosed
US-6610893-B2 Selectively nitrating 4-hydroxybiphenyl in the position adjacent to the phenolic hydroxyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
US-20030055294-A1 Method for producing 4-hydroxy-3-nitrobiphenyl LANXESS DEUTSCHLAND GMBH (DE) 2003-03-20 US disclosed
EP-1274673-A1 METHOD FOR PRODUCING 4-HYDROXY-3-NITROBIPHENYL Bayer Aktiengesellschaft (DE) 2003-01-15 EP disclosed
WO-2001077061-A1 METHOD FOR PRODUCING 4-HYDROXY-3-NITROBIPHENYL BAYER AKTIENGESELLSCHAFT (DE) 2001-10-18 WO disclosed