SCHEMBL8930197

SCHEMBL8930197

O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2c1N=C[N]2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ADORA3 P0DMS8 6/20 0.37
TMIGD3 P0DMS9 1/20 0.37
KMT2A Q03164 2/20 0.36
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL536849 0.71 BRD4 (0.49) NPSR1ADORA3KMT2A
SCHEMBL8675772 0.66 EGFR (0.56) LMNATSHRALDH1A1MAPK1HSD17B10
SCHEMBL8675770 0.66 NPSR1 (0.42) NPSR1ADORA3TMIGD3LMNAALDH1A1
SCHEMBL23283443 0.63 SLC22A12 (0.44) NPSR1ADORA3TMIGD3LMNATSHR
SCHEMBL29971311 0.63 SLC22A12 (0.44) NPSR1ADORA3TMIGD3LMNATSHR
SCHEMBL28603035 0.62 KMT2A (0.56) ADORA3TMIGD3KMT2ALMNATSHR
SCHEMBL9566589 0.61 ADORA3 (0.43) NPSR1ADORA3TMIGD3KMT2ALMNA
SCHEMBL10937900 0.60 L3MBTL1 (0.53) NPSR1KMT2ACES2CES1LMNA
SCHEMBL8723486 0.60 KMT2A (0.53) NPSR1ADORA3TMIGD3KMT2ATSHR
SCHEMBL27685166 0.58 L3MBTL1 (0.50) NPSR1KMT2ACES2CES1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO disclosed