SCHEMBL28440995

SCHEMBL28440995

O=C(O)c1nc(C2CCCCC2)cn1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.42
WDR5 P61964 1/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HCAR3 P49019 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 2/20 0.35
DHODH Q02127 1/20 0.33
ABL1 P00519 1/20 0.33
MIF P14174 1/20 0.33
HSD11B1 P28845 2/20 0.33
AURKA O14965 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL28416472 0.67 LMNA (0.45) HSD17B10GAAKDM4EAURKA
SCHEMBL4286577 0.66 HSD17B10 (0.49) KMOHSD17B10GAAKDM4EL3MBTL1
SCHEMBL29058235 0.66 KMO (0.45) KMOHSD17B10GAAKDM4EHCAR3
SCHEMBL27609704 0.64 RPS6KB1 (0.40) KMOCNR2ABL1MIFATR
SCHEMBL25601807 0.64 LMNA (0.42) HSD17B10GAAKDM4EHCAR3AURKA
SCHEMBL28706154 0.63 NPSR1 (0.42) HSD17B10GAA
SCHEMBL13705073 0.62 HSD17B10 (0.49) KMOHSD17B10GAAKDM4EL3MBTL1
SCHEMBL11908195 0.62 CNR2 (0.61) KMOKDM4EL3MBTL1GLAHTT
SCHEMBL10680583 0.62 HSD17B10 (0.46) HSD17B10GAAKDM4EHCAR3L3MBTL1
SCHEMBL25352885 0.61 HSD17B10 (0.48) KMOHSD17B10GAAKDM4EHCAR3

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
CN-111094375-B Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学株式会社 2022-04-01 CN disclosed
CN-111094375-A Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学工业株式会社 2020-05-01 CN disclosed