SCHEMBL28844977

SCHEMBL28844977

COCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
MEN1 O00255 6/20 0.53
IRAK4 Q9NWZ3 2/20 0.50
PPARG P37231 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL29683974 0.87 IRAK4 (0.51) KMT2AMEN1IRAK4MAPTKDM4E
SCHEMBL29684244 0.86 IRAK4 (0.50) KMT2AMEN1IRAK4MAPTKDM4E
SCHEMBL29684162 0.84 IRAK4 (0.50) KMT2AMEN1IRAK4NPSR1MAPT
SCHEMBL29684640 0.84 IRAK4 (0.48) KMT2AMEN1IRAK4MAPTKDM4E
SCHEMBL29684653 0.84 POLB (0.48) KMT2AMEN1IRAK4MAPTKDM4E
SCHEMBL28844941 0.83 KCNMA1 (0.60) KMT2AMEN1IRAK4NPSR1MAPT
SCHEMBL29732897 0.83 KCNMA1 (0.60) KMT2AMEN1IRAK4NPSR1MAPT
SCHEMBL29684331 0.83 HSP90AA1 (0.53) KMT2AMEN1IRAK4MAPTPOLB
SCHEMBL29684141 0.83 KMT2A (0.47) KMT2AMEN1IRAK4MAPTKDM4E
SCHEMBL29684320 0.83 IRAK4 (0.47) KMT2AMEN1IRAK4MAPTKDM4E

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-114763347-B Compound for inducing mesenchymal stem cells to differentiate into cartilage and application thereof 华东师范大学 2024-06-21 CN claimed
CN-114763347-A Compound for inducing mesenchymal stem cells to differentiate towards cartilage and application thereof 华东师范大学 2022-07-19 CN claimed
CN-114763347-B Compound for inducing mesenchymal stem cells to differentiate into cartilage and application thereof 华东师范大学 2024-06-21 CN disclosed
CN-114763347-A Compound for inducing mesenchymal stem cells to differentiate towards cartilage and application thereof 华东师范大学 2022-07-19 CN disclosed