SCHEMBL24914083

SCHEMBL24914083

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.42
MAP4K4 O95819 1/20 0.41
NR4A2 P43354 2/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
HSP90AA1 P07900 4/20 0.41
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
SPR P35270 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL30156670 1.00 PTGER1 (0.42) PTGER1MAP4K4NR4A2PTGER4PTGER3
SCHEMBL25668954 0.90 SPR (0.49) HSP90AA1SPRHSP90AB1
SCHEMBL30368420 0.90 SPR (0.49) HSP90AA1SPRHSP90AB1
SCHEMBL30368246 0.90 LMNA (0.48) HSP90AA1NPC1HPGDRAB9AHSD17B10
SCHEMBL25668990 0.90 LMNA (0.48) HSP90AA1NPC1HPGDRAB9AHSD17B10
SCHEMBL24913808 0.90 BRD4 (0.49) HSP90AA1HSP90AB1MRGPRX4MEN1KMT2A
SCHEMBL30789157 0.90 BRD4 (0.49) HSP90AA1HSP90AB1MRGPRX4MEN1KMT2A
SCHEMBL24913807 0.90 MRGPRX4 (0.44) NR4A2HSP90AA1MRGPRX4NPC1TP53
SCHEMBL30789174 0.89 BRD4 (0.48) HSP90AA1SPRHSP90AB1HSD17B10
SCHEMBL30368461 0.87 HSP90AA1 (0.41) PTGER1HSP90AA1SPRHSP90AB1HPGD

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 2 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 disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed