SCHEMBL30801516

SCHEMBL30801516

O=CNc1cccc(C2=NCCN2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
FDPS P14324 1/20 0.59
NISCH Q9Y2I1 12/20 0.56
UBE2N P61088 1/20 0.56
PAX8 Q06710 1/20 0.56
LMNA P02545 1/20 0.56
MAOB P27338 1/20 0.56

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
SCHEMBL31070161 0.79 ACHE (0.66) ACHEFDPSNISCHUBE2NPAX8
Imidocarb SCHEMBL203921 0.79 ACHE (1.00) ACHEFDPSNISCHUBE2NPAX8
Imidocarb SCHEMBL8019509 0.79 ACHE (1.00) ACHEFDPSNISCHUBE2NPAX8
Imidocarb SCHEMBL29504223 0.79 ACHE (1.00) ACHEFDPSNISCHUBE2NPAX8
SCHEMBL9189709 0.79 NISCH (0.85) ACHENISCHMAOB
SCHEMBL30801527 0.78 NISCH (0.64) ACHEFDPSNISCHUBE2NPAX8
Imidocarb SCHEMBL635410 0.78 ACHE (0.97) ACHEFDPSNISCHUBE2NPAX8
SCHEMBL30801524 0.78 NISCH (0.64) ACHEFDPSNISCHUBE2NPAX8
Imidocarb SCHEMBL1142887 0.78 ACHE (0.97) ACHEFDPSNISCHUBE2NPAX8
Imidocarb SCHEMBL1653266 0.78 ACHE (0.97) ACHEFDPSNISCHUBE2NPAX8

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-117720469-B Preparation method and application of asymmetric urea micromolecule compound and derivative 西南大学 2024-11-19 CN disclosed
CN-117720469-A Preparation method and application of asymmetric urea micromolecule compound and derivative 西南大学 2024-03-19 CN disclosed