SCHEMBL28400232

SCHEMBL28400232

[N-]=[N+]=NCCNc1nonc1C(=NO)Nc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 19/20 0.40
POLB P06746 1/20 0.36

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
SCHEMBL28392259 0.90 ALDH1A1 (0.36) IDO1
SCHEMBL28888393 0.89 IDO1 (0.38) IDO1
SCHEMBL28961111 0.85 IDO1 (0.51) IDO1
SCHEMBL28394914 0.84 IDO1 (0.37) IDO1
SCHEMBL28390851 0.82 IDO1 (0.41) IDO1
SCHEMBL28392263 0.82 IDO1 (0.41) IDO1
SCHEMBL28394909 0.79 MEN1 (0.33) IDO1
SCHEMBL28400261 0.79 IDO1 (0.37) IDO1
SCHEMBL28746381 0.74 IDO1 (0.48) IDO1
SCHEMBL28641164 0.71 IDO1 (0.47) IDO1

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
CN-111138425-A Triazole derivative and preparation method and application thereof 中国药科大学 2020-05-12 CN disclosed