SCHEMBL20090765

SCHEMBL20090765

CCS(=N)(=N)CCNc1nonc1C(=N)Nc1ccc(F)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 20/20 0.53

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
SCHEMBL20090570 0.89 IDO1 (0.58) IDO1
SCHEMBL23066810 0.89 IDO1 (0.58) IDO1
SCHEMBL20199008 0.87 IDO1 (0.52) IDO1
SCHEMBL20199064 0.86 IDO1 (0.53) IDO1
SCHEMBL20198886 0.85 IDO1 (0.50) IDO1
SCHEMBL20653213 0.84 IDO1 (0.59) IDO1
SCHEMBL179211 0.84 IDO1 (0.64) IDO1
SCHEMBL23066847 0.83 IDO1 (0.56) IDO1
SCHEMBL23066849 0.83 IDO1 (0.56) IDO1
SCHEMBL17623731 0.83 IDO1 (0.45) 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
WO-2018072697-A1 OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF 上海医药集团股份有限公司 2018-04-26 WO disclosed