SCHEMBL4329052

SCHEMBL4329052

O=Cc1cc([N+](=O)[O-])cc(-c2ccc(-c3ccccc3)cc2)c1O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.50
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ELANE P08246 1/20 0.45
POLB P06746 2/20 0.44
MAPK1 P28482 1/20 0.44
PTGS2 P35354 2/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL7137309 0.97 ERN1 (0.52) ERN1CRHBPCRHR2ELANEPOLB
SCHEMBL4328147 0.85 ERN1 (0.48) ERN1RAB9A
SCHEMBL2437022 0.83 CRHBP (0.55) CRHBPCRHR2ELANEPOLBMAPK1
SCHEMBL4262386 0.80 PTGS2 (0.52) ERN1CRHBPCRHR2ELANEPOLB
SCHEMBL27493423 0.80 PTPN1 (0.48) ERN1ELANEPOLB
SCHEMBL2790318 0.78 PTPN1 (0.56) ERN1
SCHEMBL12492120 0.78 ERN1 (0.69) ERN1MAPK1
SCHEMBL7930381 0.77 ERN1 (0.56) ERN1CRHBPCRHR2ELANEPOLB
SCHEMBL11671011 0.77 CRHBP (0.62) CRHBPCRHR2POLBMAPK1PTGS2
SCHEMBL22658133 0.76 MEN1 (0.62) CRHBPCRHR2ELANEPOLBMAPK1

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
WO-2009141236-A1 SPIROPYRANS HAVING FLUOROPHORIC GROUPS BASF SE (DE) 2009-11-26 WO disclosed
WO-2009141236-A1 SPIROPYRANS HAVING FLUOROPHORIC GROUPS BASF SE (DE) 2009-11-26 WO disclosed