SCHEMBL8042396

SCHEMBL8042396

Clc1ccc(-c2nnc(-c3ccncc3)nc2NCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPSR1 Q6W5P4 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
HIF1A Q16665 9/20 0.58
PDE5A O76074 2/20 0.55
PTGS1 P23219 1/20 0.55
TBXAS1 P24557 1/20 0.55
PTGS2 P35354 1/20 0.55
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 2/20 0.49
AKT1 P31749 1/20 0.49
FLT1 P17948 1/20 0.47
KDR P35968 1/20 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
SCHEMBL8042391 0.87 PDE5A (0.63) SMN1; SMN2NPSR1ALDH1A1KMT2AHPGD
SCHEMBL8042386 0.83 HIF1A (0.84) SMN1; SMN2HIF1ALMNA
SCHEMBL1063668 0.77 PDE5A (0.81) ALDH1A1KMT2APDE5APTGS1TBXAS1
SCHEMBL13381616 0.76 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1ALDH1A1KMT2AHPGD
SCHEMBL7442498 0.76 PDE5A (0.77) ALDH1A1KMT2APDE5APTGS1TBXAS1
SCHEMBL8042401 0.73 HIF1A (0.85) SMN1; SMN2HIF1ALMNA
SCHEMBL2583256 0.73 PDE5A (0.90) ALDH1A1KMT2AHPGDPDE5APTGS1
SCHEMBL29546979 0.72 HIF1A (1.00) SMN1; SMN2HIF1ALMNA
SCHEMBL14519422 0.72 MAPK14 (0.54) NPSR1ALDH1A1KMT2AHPGDPDE5A
SCHEMBL19911080 0.72 HIF1A (1.00) SMN1; SMN2HIF1ALMNA

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
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US claimed
US-6159974-A LDL receptor gene expression promoters SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-12-12 US disclosed