SCHEMBL28844979

SCHEMBL28844979

COCCOc1ccc(Cl)cc1NC(=O)c1cc(Br)c(Br)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.52
KMT2A Q03164 6/20 0.48
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 3/20 0.46
POLB P06746 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 4/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR4A2 P43354 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
SCHEMBL28844978 0.85 GAA (0.60) IRAK4KMT2AHSD17B10TSHRKDM4E
SCHEMBL29684819 0.80 TSHR (0.76) KMT2AHSD17B10TSHRKDM4EPOLB
SCHEMBL29684338 0.78 IRAK4 (0.49) IRAK4KMT2AHSD17B10KDM4EPOLB
SCHEMBL29732943 0.76 KMT2A (0.54) IRAK4KMT2AKDM4EPOLBHTT
SCHEMBL29684162 0.76 IRAK4 (0.50) IRAK4KMT2AHSD17B10KDM4EHTT
SCHEMBL28844881 0.76 KMT2A (0.54) IRAK4KMT2AKDM4EPOLBHTT
SCHEMBL28844977 0.76 KMT2A (0.53) IRAK4KMT2AKDM4EPOLBHTT
SCHEMBL29732956 0.76 HTT (0.70) IRAK4KMT2AKDM4EPOLBHTT
SCHEMBL28844848 0.76 HTT (0.70) IRAK4KMT2AKDM4EPOLBHTT
SCHEMBL29733013 0.75 MEN1 (0.57) IRAK4KMT2AHSD17B10KDM4EPOLB

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