SCHEMBL5697109

SCHEMBL5697109

O=C=Nc1ccc(Oc2ccc(N=C=O)c(N=C=O)c2N=C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.33

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
SCHEMBL10610591 0.86 CYP3A4 (0.41) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL3652399 0.85 CYP3A4 (0.37) CYP3A4TSHRTDP1ALDH1A1HPGD
SCHEMBL241344 0.80 CYP3A4 (0.51) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL29812870 0.77 CYP3A4 (0.40) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL1071989 0.77 CYP3A4 (0.40) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL4551613 0.76 CYP3A4 (0.54) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL50333 0.76 CYP3A4 (0.54) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL4544188 0.76 CYP3A4 (0.54) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL5577120 0.74 CYP3A4 (0.48) CYP3A4TSHRTRPA1TDP1ALDH1A1
SCHEMBL42899 0.72 CYP3A4 (0.43) CYP3A4TSHRTDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265827-B1 A METHOD FOR PROTECTION OF STONE WITH FLUORINATED URETHANE DU PONT (US) 2006-07-05 EP disclosed
US-6790924-B2 APPLICATION OF FLUORINATED URETHANE COMPOSITIONS TO STONE IN ORDER TO PROTECT THE STONE FROM THE DELETERIOUS EFFECTS OF WATER AND POLLUTION. E. I. DU PONT DE NEMOURS AND COMPANY 2004-09-14 US disclosed
US-20030050367-A1 Method for protection of stone with fluorinated urethane THE CHEMOURS COMPANY FC, LLC 2003-03-13 US disclosed
EP-1265827-A1 A METHOD FOR PROTECTION OF STONE WITH FLUORINATED URETHANE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-12-18 EP disclosed
WO-2001062687-A1 A METHOD FOR PROTECTION OF STONE WITH FLUORINATED URETHANE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2001-08-30 WO disclosed
US-4980399-A Water dilutable binders containing latent primary amino groups for cationic electrocoating and a process for their preparation BASF LACKE & FARBEN AG (DE) 1990-12-25 US disclosed