SCHEMBL5707263

SCHEMBL5707263

O=[N+]([O-])c1ccc(-c2ccccc2)c(O)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
CASP6 P55212 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PSMD14 O00487 1/20 0.49
PRKACA P17612 1/20 0.49
GPR35 Q9HC97 2/20 0.49
POLB P06746 3/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.45
S100A4 P26447 1/20 0.44
HPRT1 P00492 1/20 0.44
CTSB P07858 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL28099167 0.84 ALDH1A1 (0.56) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL7051300 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL5707211 0.81 CRHBP (0.57) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL27739230 0.81 HNF4A (0.54) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL10774151 0.81 TDP1 (0.53) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL29069346 0.79 TDP1 (0.55) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL16937118 0.79 TDP1 (0.55) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL28661972 0.79 GPR35 (0.53) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL30139580 0.79 TDP1 (0.55) ALDH1A1TDP1CRHBPCRHR2CASP6
SCHEMBL3758845 0.79 ALDH1A1 (0.55) ALDH1A1TDP1CRHBPCRHR2CASP6

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