SCHEMBL9414547

SCHEMBL9414547

O=C(F)Oc1c(F)nc(Cl)nc1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
LMNA P02545 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
SCHEMBL9414543 0.90 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL9414604 0.82
SCHEMBL9414553 0.80 KEAP1 (0.31) KEAP1NFE2L2LMNA
SCHEMBL9414552 0.78 KEAP1 (0.32) KEAP1NFE2L2
SCHEMBL9414551 0.74 KEAP1 (0.34) KEAP1NFE2L2
SCHEMBL9139159 0.70 ALDH1A1 (0.33) LMNA
SCHEMBL18697361 0.66 CA1 (0.35)
SCHEMBL9136759 0.65 KEAP1 (0.31) KEAP1NFE2L2LMNA
SCHEMBL18697328 0.62 KMT2A (0.48)
SCHEMBL9181490 0.61 ALDH1A1 (0.47)

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
EP-0603595-A1 Fibre reactive dyes, method for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-29 EP disclosed