SCHEMBL21180865

SCHEMBL21180865

CCN(CCO)c1ccc(/N=N/c2sc3cc(OC)ccc3[n+]2C)c(OS(=O)(=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 5/20 0.48
MAPT P10636 8/20 0.32
POLB P06746 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
TP53 P04637 2/20 0.32
CNR2 P34972 1/20 0.31
APOBEC3A P31941 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GAA P10253 1/20 0.30

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
Basic Blue 41 SCHEMBL94760 0.86 INSR (0.60) INSRMAPTPOLBMEN1KMT2A
Basic Blue 41 SCHEMBL110712 0.86 INSR (0.60) INSRMAPTPOLBMEN1KMT2A
Basic Blue 41 SCHEMBL29366785 0.86 INSR (0.60) INSRMAPTPOLBMEN1KMT2A
SCHEMBL5772480 0.81 INSR (0.69) INSRMAPTPOLBMEN1KMT2A
SCHEMBL5772477 0.81 INSR (0.69) INSRMAPTPOLBMEN1KMT2A
Methacrylic Acid SCHEMBL600099 0.80 INSR (0.53) INSRMAPTPOLBMEN1KMT2A
SCHEMBL3186033 0.79 INSR (0.51) INSRMAPTPOLBMEN1KMT2A
SCHEMBL4864650 0.76 INSR (0.58) INSRMAPTPOLBMEN1KMT2A
Sulfuric Acid SCHEMBL4862781 0.76 INSR (0.60) INSRMAPTPOLBMEN1KMT2A
Sulfuric Acid SCHEMBL4862784 0.76 INSR (0.60) INSRMAPTPOLBMEN1KMT2A

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-2861649-B1 SULFONATED NAPHTHALENE POLYOXADIAZOLE POLYMERS DU PONT (US) 2019-07-24 EP disclosed