SCHEMBL28844978

SCHEMBL28844978

COCCOc1ccc(Cl)cc1NC(=O)c1ccc(Br)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HSD17B10 Q99714 8/20 0.52
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
HTT P42858 1/20 0.48
USP2 O75604 1/20 0.48
GRM4 Q14833 1/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL28844979 0.85 IRAK4 (0.52) GAAKMT2AMEN1NPSR1HSD17B10
SCHEMBL29684819 0.81 TSHR (0.76) KMT2AMEN1NPSR1HSD17B10ALDH1A1
SCHEMBL29732943 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL28844881 0.80 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL29733013 0.79 MEN1 (0.57) KMT2AMEN1HSD17B10ALDH1A1MAPT
SCHEMBL28844878 0.79 MEN1 (0.57) KMT2AMEN1HSD17B10ALDH1A1MAPT
SCHEMBL29684162 0.77 IRAK4 (0.50) KMT2AMEN1NPSR1HSD17B10ALDH1A1
SCHEMBL28844977 0.77 KMT2A (0.53) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL28844848 0.77 HTT (0.70) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL29732956 0.77 HTT (0.70) KMT2AMEN1NPC1RAB9AALDH1A1

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-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