SCHEMBL24913808

SCHEMBL24913808

CNC(=O)c1ccc2c(c1)CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
SMPD1 P17405 1/20 0.42
HDAC1 Q13547 1/20 0.42
HSP90AA1 P07900 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MET P08581 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL30789157 1.00 BRD4 (0.49) BRD4MEN1KMT2ASMN1; SMN2HDAC6
SCHEMBL25668990 0.90 LMNA (0.48) HDAC6HDAC8SMPD1HDAC1HSP90AA1
SCHEMBL30368246 0.90 LMNA (0.48) HDAC6HDAC8SMPD1HDAC1HSP90AA1
SCHEMBL30156670 0.90 PTGER1 (0.42) MEN1KMT2ASMN1; SMN2HSP90AA1MRGPRX4
SCHEMBL24914083 0.90 PTGER1 (0.42) MEN1KMT2ASMN1; SMN2HSP90AA1MRGPRX4
SCHEMBL30789174 0.87 BRD4 (0.48) BRD4HSP90AA1HSD17B10HSP90B1TRAP1
SCHEMBL30368420 0.86 SPR (0.49) HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL25668954 0.86 SPR (0.49) HSP90AA1HSP90B1TRAP1HSP90AB1
SCHEMBL30789160 0.86 HSP90AB1 (0.42) MEN1KMT2AHDAC8HSP90AA1LMNA
SCHEMBL30301732 0.85 SMN1; SMN2 (0.44) BRD4MEN1KMT2ASMN1; SMN2HDAC6

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-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN claimed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed