SCHEMBL28844843

SCHEMBL28844843

COCCOc1ccc(Cl)cc1NC(=O)c1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.63
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MAPT P10636 4/20 0.54
GAA P10253 1/20 0.54
GRM4 Q14833 2/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL29732914 1.00 IRAK4 (0.63) IRAK4MEN1KMT2AMAPTGAA
SCHEMBL29684506 0.87 IRAK4 (0.57) IRAK4MEN1KMT2AKDM4ENPC1
SCHEMBL28844848 0.85 HTT (0.70) IRAK4MEN1KMT2AKDM4ENPC1
SCHEMBL29732956 0.85 HTT (0.70) IRAK4MEN1KMT2AKDM4ENPC1
SCHEMBL29684515 0.84 IRAK4 (0.57) IRAK4MEN1KMT2AMAPTGRM4
SCHEMBL29684150 0.83 IRAK4 (0.53) IRAK4MEN1KMT2AMAPTGRM4
SCHEMBL29684502 0.81 IRAK4 (0.56) IRAK4MEN1KMT2AMAPTGAA
SCHEMBL29684405 0.80 IRAK4 (0.55) IRAK4MEN1KMT2AGRM4KDM4E
SCHEMBL28844846 0.80 LMNA (0.59) IRAK4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL359168 0.78 IRAK4 (1.00) IRAK4

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