SCHEMBL8600401

SCHEMBL8600401

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR7 P34969 5/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
KCNH3 Q9ULD8 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
SCHEMBL8603182 0.96 NPC1 (0.31)
SCHEMBL8601743 0.90 KCNH3 (0.34) MAPK1HTTKMT2ATDP1KCNH3
SCHEMBL736035 0.76 LMNA (0.31) HTR7ADRA1DADRA1AADRA1B
SCHEMBL8603167 0.75 KCNH2 (0.38) MAPK1HTR7ADRA1DADRA1AADRA1B
SCHEMBL11126125 0.74 KMT2A (0.34) MAPK1HTTKMT2ATDP1HTR7
SCHEMBL446445 0.73 LMNA (0.30)
SCHEMBL8601291 0.72 KCNH2 (0.38) MAPK1HTTHTR7ADRA1DADRA1A
SCHEMBL5162098 0.71 HTR7 (0.31) HTTHTR7ADRA1DADRA1AADRA1B
SCHEMBL16005729 0.69 KMT2A (0.38) MAPK1HTTKMT2ATDP1HTR7
SCHEMBL14577069 0.69 HTR7 (0.33) MAPK1HTTKMT2ATDP1HTR7

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 2 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 disclosed