SCHEMBL9528709

SCHEMBL9528709

CO/C(=N\C#N)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
APP P05067 1/20 0.41
HCAR3 P49019 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
THRB P10828 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
SCHEMBL9528711 1.00 ALDH1A1 (0.51) ALDH1A1POLBRECQLSMN1; SMN2HIF1A
SCHEMBL9531042 0.83 L3MBTL1 (0.43) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL7969659 0.83 ALDH1A1 (0.46) ALDH1A1POLBRECQLSMN1; SMN2HIF1A
SCHEMBL7007267 0.83 ALDH1A1 (0.46) ALDH1A1POLBRECQLSMN1; SMN2HIF1A
SCHEMBL9531037 0.83 L3MBTL1 (0.43) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL2088416 0.80 ALDH1A1 (0.46) ALDH1A1POLBKMT2AGAAMAPT
SCHEMBL9532178 0.80 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL9532175 0.80 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3455076 0.79 POLB (0.52) ALDH1A1POLBRECQLSMN1; SMN2EGFR
SCHEMBL3455077 0.79 POLB (0.52) ALDH1A1POLBRECQLSMN1; SMN2EGFR

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
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed