SCHEMBL29259185

SCHEMBL29259185

Brc1cccc(-c2cc3cc4nc(c(Br)c5ccc([nH]5)c(Br)c5nc(c(Br)c2[nH]3)C=C5)C=C4)c1.[Fe]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ DCUN1D1 Q96GG9 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL30555833 1.00 STAT3 (0.37) STAT3STAT1IDO1TDO2ALDH1A1
SCHEMBL30505531 0.99 STAT3 (0.38) STAT3STAT1IDO1TDO2ALDH1A1
SCHEMBL28113306 0.99 STAT3 (0.38) STAT3STAT1IDO1TDO2ALDH1A1
SCHEMBL29259623 0.98 STAT3 (0.37) STAT3STAT1IDO1TDO2ALDH1A1
SCHEMBL30555859 0.98 STAT3 (0.37) STAT3STAT1IDO1TDO2ALDH1A1
SCHEMBL28663271 0.79 STAT3 (0.32) STAT3STAT1HPGD
SCHEMBL28684342 0.76 STAT3 (0.39) STAT3STAT1
SCHEMBL28672577 0.74 STAT3 (0.38) STAT3STAT1
SCHEMBL28931253 0.74 STAT3 (0.38) STAT3STAT1
SCHEMBL8831500 0.73 STAT3 (0.50) STAT3STAT1

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-116759587-A Preparation method and application of high-yield hierarchical porous carbon-supported nitrogen coordination iron single-atom oxygen reduction catalyst 中国石油大学(华东) 2023-09-15 — — CN disclosed
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