SCHEMBL5707253

SCHEMBL5707253

O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 1.00
CRHR2 Q13324 1/20 1.00
GPR35 Q9HC97 3/20 0.57
CASP6 P55212 1/20 0.53
ERN1 O75460 5/20 0.53
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ABCC1 P33527 2/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GALK1 P51570 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNMA1 Q12791 1/20 0.49
ABCB1 P08183 1/20 0.49
MAPT P10636 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 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
Trinitrophenol SCHEMBL27955220 0.89 CRHBP (0.79) CRHBPCRHR2GPR35CASP6ALDH1A1
SCHEMBL10885499 0.87 CRHBP (0.76) CRHBPCRHR2GPR35ERN1ALDH1A1
SCHEMBL3317242 0.87 CRHBP (0.77) CRHBPCRHR2GPR35CASP6ERN1
SCHEMBL6837874 0.84 CRHBP (0.71) CRHBPCRHR2ERN1ABCC1KCNMA1
SCHEMBL3559913 0.81 CRHBP (0.68) CRHBPCRHR2GPR35ALDH1A1TDP1
SCHEMBL5595131 0.81 CRHBP (0.68) CRHBPCRHR2GPR35ALDH1A1TDP1
SCHEMBL29878741 0.81 CRHBP (0.68) CRHBPCRHR2GPR35ALDH1A1TDP1
SCHEMBL29878908 0.81 CRHBP (0.68) CRHBPCRHR2GPR35ALDH1A1TDP1
SCHEMBL12818449 0.80 CRHBP (0.67) CRHBPCRHR2ALDH1A1TDP1ABCC1
SCHEMBL11672825 0.80 CRHBP (0.67) CRHBPCRHR2GPR35ALDH1A1TDP1

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 2 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