SCHEMBL28877273

SCHEMBL28877273

Fc1c(F)c(F)c2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nnc(-c3cc4sccc4s3)c2c1F

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MPL P40238 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
SCHEMBL28877261 0.82 PDE3B (0.40) ABCC8KCNJ11ALOX5APFEN1MPL
SCHEMBL29947822 0.82 ABCC8 (0.44) ABCC8KCNJ11ALOX5APFEN1MPL
SCHEMBL28877253 0.81 KDM4E (0.38) ABCC8KCNJ11ALOX5APFEN1
SCHEMBL28877326 0.74 GPR35 (0.30)
SCHEMBL28877271 0.73 ADORA2A (0.42) ABCC8KCNJ11ALOX5APFEN1
SCHEMBL28877288 0.72
SCHEMBL28877259 0.70 MPL (0.34) ABCC8KCNJ11ALOX5APFEN1MPL
SCHEMBL29350079 0.64 KDM4E (0.35) ABCC8KCNJ11ALOX5APFEN1MPL
SCHEMBL28676412 0.62 TSHR (0.56) ABCC8KCNJ11ALOX5APFEN1MPL
SCHEMBL28020018 0.61 ERN1 (0.41) ALOX5APFEN1

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-115260245-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-11-01 CN disclosed