SCHEMBL28344648

SCHEMBL28344648

Nc1c(NC2CCCCC2)cccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2A P29274 1/20 0.43
NR2F2 P24468 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
IDO1 P14902 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6346103 0.81 GAA (0.50) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL28344647 0.78 GAA (0.54) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL6343755 0.78 NRP1 (0.49) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL25876784 0.77 KDM4E (0.53) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL29127243 0.76 ALDH1A1 (0.49) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL3784474 0.76 KDM4E (0.59) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL31720600 0.76 KDM4E (0.59) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL30936608 0.76 KDM4E (0.59) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL29449726 0.75 KDM4E (0.73) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4495740 0.75 KDM4E (0.73) MAPTGAAKDM4EALDH1A1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110650944-B Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines 科思创德国股份有限公司 2022-07-19 CN claimed
CN-105229015-B Zinc cluster compounds and their use as catalysts in the reaction of amines with dialkyl carbonates 科思创德国股份公司 2020-11-03 CN claimed
CN-110650944-A Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines 科思创德国股份有限公司 2020-01-03 CN claimed
CN-110650944-B Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines 科思创德国股份有限公司 2022-07-19 CN disclosed
CN-105229015-B Zinc cluster compounds and their use as catalysts in the reaction of amines with dialkyl carbonates 科思创德国股份公司 2020-11-03 CN disclosed
CN-110650944-A Silica-based zinc catalysts, their preparation and use in the alkoxycarbonylation of amines 科思创德国股份有限公司 2020-01-03 CN disclosed