SCHEMBL9528877

SCHEMBL9528877

COC(=O)c1ccc(C(C)c2c(Cl)[nH]c3ccc(CC4CCN(C)C4=O)cc23)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.35
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
ABCC1 P33527 1/20 0.34
TLR9 Q9NR96 3/20 0.33
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL9528261 0.93 PTPN5 (0.35) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL9528727 0.86 CYSLTR2 (0.42) KMT2AMEN1MAPK1CNR1
SCHEMBL9531910 0.85 PLA2G4A (0.41) KMT2AMEN1MAPK1CNR1
SCHEMBL9526859 0.85 B3GAT3 (0.36) HPGD
SCHEMBL9527468 0.78 B3GAT3 (0.35) ADRA1B
SCHEMBL9526764 0.78 NPC1 (0.37) KDM4ESMN1; SMN2GAA
SCHEMBL9527665 0.76 B3GAT3 (0.35) HPGD
SCHEMBL9490127 0.75 MAPT (0.41) KMT2AMEN1ALDH1A1TLR8TLR7
SCHEMBL9491093 0.75 MEN1 (0.39) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL9527749 0.74 HTR1D (0.35) HPGDALDH1A1

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
EP-0337767-B1 CYCLIC AMIDES ICI AMERICAS INC. (US) 1993-01-13 EP disclosed
US-5047402-A Leukotriene Antagonists ICI AMERICAS INC. (US) 1991-09-10 US disclosed
EP-0337767-A1 Cyclic amides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed