SCHEMBL27337028

SCHEMBL27337028

C=CCN(CC=C)c1cc(=O)[nH]c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.41
CA1 P00915 1/20 0.36
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
YTHDF3 Q7Z739 1/20 0.32
YTHDF1 Q9BYJ9 1/20 0.32
YTHDF2 Q9Y5A9 1/20 0.32
CYP1A2 P05177 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
SCHEMBL7965645 0.77 KDM4C (0.40) GPR84
SCHEMBL10095166 0.75 GPR84 (0.53) GPR84CA1ALDH1A1LMNA
SCHEMBL1362732 0.67 GPR84 (0.53) GPR84CA1ALDH1A1LMNAYTHDF3
SCHEMBL11662039 0.67 GPR84 (0.46) GPR84CA1ALDH1A1LMNAYTHDF3
SCHEMBL11497510 0.66 CYP3A4 (0.46) ALDH1A1LMNA
SCHEMBL28818278 0.66 GPR84 (0.51) GPR84CA1ALDH1A1LMNAYTHDF3
SCHEMBL3393557 0.64 LOXL2 (0.41) CA1ALDH1A1LMNA
SCHEMBL2181657 0.64 GPR84 (0.50) GPR84CA1ALDH1A1LMNAYTHDF3
SCHEMBL3418337 0.63 GPR84 (0.59) GPR84
SCHEMBL3475870 0.62 GPR84 (0.44) GPR84CA1ALDH1A1LMNAYTHDF3

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
CN-1043473-C 8-substituted xanthines as selective adenosine receptor agents MERRELL DOW PHARMA (US) 1999-05-26 CN disclosed
CN-1122599-A 8-substituted xanthines as selective adenosine receptor agents MERRELL DOW PHARMA (US) 1996-05-15 CN disclosed