SCHEMBL29909607

SCHEMBL29909607

CN(c1cccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.34
DHODH Q02127 1/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PDE5A O76074 2/20 0.32
NR1H2 P55055 3/20 0.31
NR1H3 Q13133 3/20 0.31
RXRA P19793 2/20 0.30
KIF11 P52732 1/20 0.30
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL29909415 0.89 RORC (0.37) ABCG2DHODHPTGS1PTGS2PDE5A
SCHEMBL29909330 0.88 CYP1A2 (0.38) ABCG2DHODH
SCHEMBL29909021 0.87 ABCG2 (0.34) ABCG2DHODHPDE5ANR1H2NR1H3
SCHEMBL29909024 0.86 ABCG2 (0.37) ABCG2DHODHPDE5AKIF11
SCHEMBL29909829 0.85 ABCG2 (0.36) ABCG2DHODHPDE5A
SCHEMBL30961045 0.85 KCNH2 (0.34) ABCG2DHODHPDE5A
SCHEMBL29909758 0.85 ABCG2 (0.37) ABCG2DHODHPDE5A
SCHEMBL29909687 0.85 ABCG2 (0.37) ABCG2DHODHPDE5A
SCHEMBL29909683 0.84 RORC (0.34) ABCG2DHODHPDE5A
SCHEMBL29909204 0.84 ABCG2 (0.35) ABCG2DHODHPDE5A

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-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed