SCHEMBL6576092

SCHEMBL6576092

NC1([N+](=O)[O-])C=CC(O)C(c2ccccc2)=C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4420369 0.72
SCHEMBL6574546 0.71
SCHEMBL6850656 0.69 CRHBP (0.34) CRHBPCRHR2ALDH1A1TDP1
Bromide SCHEMBL6846809 0.68 CRHBP (0.33) CRHBPCRHR2
SCHEMBL10586210 0.66 CES2 (0.38) ALDH1A1TDP1POLBMAPK1
SCHEMBL10714023 0.62 NPSR1 (0.40) ALDH1A1TDP1MAPK1
SCHEMBL5314132 0.60
SCHEMBL7224951 0.60 ALDH1A1 (0.33) CRHBPCRHR2ALDH1A1TDP1
Biphenyl SCHEMBL6919136 0.59 ALDH1A1 (0.53) CRHBPCRHR2ALDH1A1TDP1POLB
Biphenyl SCHEMBL27821216 0.59 CRHBP (0.56) CRHBPCRHR2ALDH1A1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208077-B1 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-04-21 EP disclosed