SCHEMBL31071019

SCHEMBL31071019

N#CC(C#N)=C1CC(=O)c2c(Br)ccc(Br)c21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EGFR P00533 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
SCHEMBL7047320 0.80 CA1 (0.39) EGFR
SCHEMBL28837399 0.78 EGFR (0.32) EGFR
SCHEMBL28591615 0.68 EGFR (0.30) EGFR
SCHEMBL30643909 0.68 EGFR (0.30) EGFR
SCHEMBL7048701 0.68 S100A4 (0.40) EGFR
SCHEMBL20819745 0.68 S100A4 (0.40) EGFR
SCHEMBL31023251 0.68 S100A4 (0.40) EGFR
SCHEMBL31108093 0.68 S100A4 (0.40) EGFR
SCHEMBL23066115 0.67 ALDH1A1 (0.34)
SCHEMBL7044988 0.67 KMT2A (0.34) EGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754897-B NIR-II fluorescent photosensitizer with aggregation-induced active oxygen efficiency enhancement characteristic and application thereof 南京工业大学 2024-11-15 CN claimed
CN-118754897-A NIR-II fluorescent photosensitizer with aggregation-induced active oxygen efficiency enhancement characteristic and application thereof 南京工业大学 2024-10-11 CN claimed
CN-118754897-B NIR-II fluorescent photosensitizer with aggregation-induced active oxygen efficiency enhancement characteristic and application thereof 南京工业大学 2024-11-15 CN disclosed
CN-118754897-A NIR-II fluorescent photosensitizer with aggregation-induced active oxygen efficiency enhancement characteristic and application thereof 南京工业大学 2024-10-11 CN disclosed