SCHEMBL27168552

SCHEMBL27168552

COC1C(N=C=O)=Cc2c(N=C=O)ccc3cccc1c23

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL28215938 0.82 CYP3A4 (0.34) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL28215582 0.80 CYP3A4 (0.34) CYP3A4
SCHEMBL83099 0.67 CYP3A4 (0.33) CYP3A4
SCHEMBL3809881 0.66
SCHEMBL7265796 0.64 CYP3A4 (0.31) CYP3A4
SCHEMBL29193898 0.64 CYP3A4 (0.31) CYP3A4
SCHEMBL224067 0.61 CYP3A4 (0.60) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL3669277 0.61 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL3714083 0.61 ALDH1A1 (0.45) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL626687 0.58 MEN1 (0.35)

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-4334364-A1 COMPOSITIONS COMPRISING OXIDIZED INSOLUBLE ALPHA-GLUCAN Nutrition & Biosciences USA 4, Inc. (US) 2024-03-13 EP disclosed