SCHEMBL29486223

SCHEMBL29486223

NC(N)=NC(=O)c1cccc(C2CC2)c1N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 10/20 0.45
SLC9A2 Q9UBY0 3/20 0.45
HTR2B P41595 6/20 0.43
HTR7 P34969 4/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
PLAU P00749 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL30666294 0.82 KDM4E (0.39)
SCHEMBL9322018 0.79 PDK2 (0.38)
SCHEMBL17786098 0.77 PTGDR2 (0.38) CYP2D6
SCHEMBL29486091 0.77 KDM4E (0.32)
SCHEMBL27534925 0.74 KDM4E (0.49) CYP2D6
SCHEMBL29486064 0.73 ALDH1A1 (0.50)
SCHEMBL18029750 0.73 SLC6A4 (0.42)
SCHEMBL14625710 0.72 G6PD (0.50) CYP2C9
Hydrochloric Acid SCHEMBL8955937 0.72 SLC9A1 (0.49) SLC9A1SLC9A2HTR2BHTR7PLAU
SCHEMBL27728938 0.72 G6PD (0.50) CYP2C9CYP2D6

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-114423741-B aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2023-11-07 CN disclosed
CN-114423741-A aryl-N-aryl derivatives for the treatment of RNA viral infections ABIVAX公司 2022-04-29 CN disclosed