SCHEMBL29914723

SCHEMBL29914723

CC1(C)OB(c2ccc(C3CCOCC3)c(CN3CCCC3)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.33
LIPG Q9Y5X9 4/20 0.33
HRH3 Q9Y5N1 3/20 0.33
KCNH2 Q12809 1/20 0.33
ROCK1 Q13464 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2A13 Q16696 2/20 0.32
FTO Q9C0B1 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL27159650 1.00 LPL (0.33) LPLLIPGHRH3KCNH2ROCK1
SCHEMBL27159919 0.98 LPL (0.33) LPLLIPGHRH3KCNH2ROCK1
SCHEMBL29914872 0.98 LPL (0.33) LPLLIPGHRH3KCNH2ROCK1
SCHEMBL29914738 0.88 BACE1 (0.37) KCNH2ROCK1HIF1AMEN1KMT2A
SCHEMBL27159890 0.88 BACE1 (0.37) KCNH2ROCK1HIF1AMEN1KMT2A
SCHEMBL29914885 0.85 HRH3 (0.36) HRH3KCNH2MEN1MAPTKMT2A
SCHEMBL27159906 0.85 HRH3 (0.36) HRH3KCNH2MEN1MAPTKMT2A
SCHEMBL29914972 0.85 HRH3 (0.36) HRH3KCNH2MEN1MAPTKMT2A
SCHEMBL27159914 0.85 HRH3 (0.36) HRH3KCNH2MEN1MAPTKMT2A
SCHEMBL27159910 0.85 HRH3 (0.36) HRH3KCNH2MEN1MAPTKMT2A

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-4330246-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) Ontario Institute for Cancer Research (OICR) (CA) 2024-03-06 EP disclosed
WO-2022226665-A1 HALO-SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed