SCHEMBL29899282

SCHEMBL29899282

COc1ccc(-c2c[nH]c3c2CCc2cc(OC)ccc2-3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
IDO1 P14902 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALPL P05186 1/20 0.43
CLK1 P49759 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP19A1 P11511 3/20 0.42
CYP11B2 P19099 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
CYP17A1 P05093 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL5814304 1.00 EGFR (0.52) EGFRIDO1CYP1A2CYP2D6MEN1
SCHEMBL5809047 0.92 ACHE (0.46) EGFRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL30149529 0.92 ACHE (0.46) EGFRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL28461711 0.90 EGFR (0.44) EGFRIDO1CYP1A2CYP2D6MEN1
SCHEMBL28456202 0.83 CYP1A2 (0.49) EGFRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL28457809 0.79 CYP19A1 (0.44) EGFRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL17489599 0.77 EGFR (0.56) EGFRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL28454236 0.76 CYP1A2 (0.46) EGFRCYP1A2CYP2D6MEN1KMT2A
SCHEMBL29051548 0.74 CYP1A2 (0.34) EGFRIDO1CYP1A2CYP2D6MEN1
SCHEMBL23878718 0.74 CYP1A2 (0.48) EGFRCYP1A2CYP2D6MEN1KMT2A

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-115141220-B Aza-BODIPY compound and application thereof in nanoparticle in-vivo tracking 复旦大学 2025-03-11 CN claimed
CN-115141220-A Aza-BODIPY compound and application thereof in-vivo tracing of nanoparticles 复旦大学 2022-10-04 CN claimed
CN-115141220-B Aza-BODIPY compound and application thereof in nanoparticle in-vivo tracking 复旦大学 2025-03-11 CN disclosed
CN-115141220-A Aza-BODIPY compound and application thereof in-vivo tracing of nanoparticles 复旦大学 2022-10-04 CN disclosed