SCHEMBL9074229

SCHEMBL9074229

OCc1ccc(Nc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.56
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
CNR2 P34972 3/20 0.46
GRM5 P41594 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
JAK3 P52333 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FLT1 P17948 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
SCHEMBL4229752 0.83 MAPT (0.49) MAPTMEN1KMT2ACNR2GRM5
SCHEMBL8545034 0.82 HCAR3 (0.51) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL152586 0.82 HCAR3 (0.51) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL28056250 0.82 HCAR3 (0.51) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL7450801 0.81 HCAR3 (0.59) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL5422215 0.78 HDAC6 (0.53) MAPTMEN1KMT2AJAK3IRAK4
SCHEMBL2343345 0.76 TSHR (0.38) MEN1KMT2ALMNARAB9ATSHR
SCHEMBL11078454 0.74 ALDH1A1 (0.62) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2664557 0.73 HCAR3 (0.65) HCAR3MAPTMEN1KMT2ARAB9A
SCHEMBL9076114 0.73 HCAR3 (0.43) HCAR3MAPTMEN1KMT2ALMNA

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
US-5519037-A N-cyanoamidine derivatives as anti-influenza agents AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-21 US disclosed
US-5475012-A Antiviral against influenza A AMERICAN HOME PRODUCTS CORPORATION (US) 1995-12-12 US disclosed
US-5380734-A N-cyanoamidine derivatives as anti-influenza agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed