SCHEMBL8601743

SCHEMBL8601743

COC(OC)C(O)Nc1nc(NC(O)C(OC)OC)nc(NC(O)C(OC)OC)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
F2 P00734 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8600401 0.90 MAPK1 (0.32) KCNH3TDP1KMT2AMAPK1HTT
SCHEMBL8603182 0.86 NPC1 (0.31)
SCHEMBL8123120 0.73 GAA (0.34) KCNH3TDP1GAAKMT2AMAPK1
SCHEMBL8601318 0.70 CYP3A4 (0.38) KMT2AMEN1CYP1A2ALDH1A1
SCHEMBL3123080 0.69 GAA (0.39) KCNH3TDP1GAAKMT2AMAPK1
SCHEMBL3297569 0.66 GAA (0.46) KCNH3TDP1GAAKMT2AMAPK1
SCHEMBL479146 0.64 GAA (0.38) KCNH3TDP1GAAKMT2AMAPK1
SCHEMBL736035 0.62 LMNA (0.31) LMNA
SCHEMBL11544671 0.62 CYP1A2 (0.41) KCNH3TDP1GAAKMT2AMAPK1
SCHEMBL16005660 0.62 GAA (0.42) KCNH3TDP1GAAKMT2AMAPK1

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
EP-0698627-B1 Aminoplast resins and their use as a crosslinker of cellulose HOECHST FRANCE (FR) 1998-03-04 EP claimed
US-5665851-A Aminoplastic resins and their use as a crosslinking agent for cellulose SEQUA CHEMICALS, INC. (US) 1997-09-09 US claimed
US-5665851-A Aminoplastic resins and their use as a crosslinking agent for cellulose SEQUA CHEMICALS, INC. (US) 1997-09-09 US disclosed