SCHEMBL29684162

SCHEMBL29684162

COCCOc1ccc(Cl)cc1NC(=O)c1cc(Br)cs1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.50
HTR2A P28223 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL28844977 0.84 KMT2A (0.53) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL28844941 0.83 KCNMA1 (0.60) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29732897 0.83 KCNMA1 (0.60) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29684546 0.82 IRAK4 (0.55) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29684338 0.81 IRAK4 (0.49) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29683974 0.81 IRAK4 (0.51) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29684611 0.80 IRAK4 (0.55) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29684244 0.80 IRAK4 (0.50) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL28844874 0.78 IRAK4 (0.51) IRAK4KMT2AMEN1KDM4EHTT
SCHEMBL29732914 0.78 IRAK4 (0.63) IRAK4KMT2AMEN1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN claimed
CN-114763346-B Compounds for inducing cartilage formation and application thereof 华东师范大学 2025-06-10 CN disclosed
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN disclosed