SCHEMBL25849569

SCHEMBL25849569

CC(C)c1cccc(C(C)C)c1N1/C(=C/C=C2/SC(=O)N(C)C2=O)N(C)c2nc3ccccc3nc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ANPEP P15144 4/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CGAS Q8N884 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
SCHEMBL25849586 0.82 DPP4 (0.41) DPP4NR1H2NR1H3ANPEPTDP1
SCHEMBL25849580 0.80 DPP4 (0.36) DPP4NR1H2NR1H3ANPEP
SCHEMBL25849554 0.78 DPP4 (0.36) DPP4NR1H2NR1H3ANPEP
SCHEMBL26300124 0.78 DPP4 (0.39) DPP4NR1H2NR1H3ANPEPKDM4E
SCHEMBL25849578 0.77 MAPT (0.38) DPP4NR1H2NR1H3ANPEPKDM4E
SCHEMBL25849583 0.72 DPP4 (0.34) DPP4NR1H2NR1H3ANPEP
SCHEMBL23338686 0.72 DPP4 (0.38) DPP4NR1H2NR1H3ANPEPKDM4E
SCHEMBL25849597 0.72 DPP4 (0.34) DPP4NR1H2NR1H3ANPEP
SCHEMBL25849584 0.71 DPP4 (0.32) DPP4NR1H2NR1H3ANPEP
SCHEMBL25849592 0.71 DPP4 (0.34) DPP4NR1H2NR1H3ANPEP

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
US-20230232713-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-07-20 US disclosed