SCHEMBL6850656

SCHEMBL6850656

NC1([N+](=O)[O-])C=CC=C(c2ccccc2)C1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
Bromide SCHEMBL6846809 0.99 CRHBP (0.33) CRHBPCRHR2PTGS1PTGS2
SCHEMBL5664567 0.78 POLB (0.32) CRHBPCRHR2PTGS1PTGS2
SCHEMBL4462509 0.74
SCHEMBL27850665 0.69 THRB (0.34) TDP1
SCHEMBL6576092 0.69 CRHBP (0.32) CRHBPCRHR2ALDH1A1TDP1
SCHEMBL8032075 0.64
SCHEMBL27638427 0.64 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL27605635 0.63
SCHEMBL8779775 0.62
SCHEMBL6851292 0.62 GRM2 (0.33) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed