SCHEMBL29914738

SCHEMBL29914738

COC1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2C2CCOCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
CNR1 P21554 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
TNF P01375 1/20 0.32
LTA4H P09960 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ROCK1 Q13464 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 1/20 0.31
OPRM1 P35372 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
SCHEMBL27159890 1.00 BACE1 (0.37) BACE1MEN1KMT2ACNR1KCNH2
SCHEMBL29914800 0.91 BACE1 (0.36) BACE1ROCK1HIF1A
SCHEMBL27159633 0.91 BACE1 (0.36) BACE1ROCK1HIF1A
SCHEMBL27159919 0.88 LPL (0.33) MEN1KMT2ACNR1KCNH2ROCK1
SCHEMBL29914872 0.88 LPL (0.33) MEN1KMT2ACNR1KCNH2ROCK1
SCHEMBL27159650 0.88 LPL (0.33) MEN1KMT2ACNR1KCNH2KDM4E
SCHEMBL29914723 0.88 LPL (0.33) MEN1KMT2ACNR1KCNH2KDM4E
SCHEMBL27159901 0.84 BACE1 (0.39) BACE1ALDH1A1TNFLTA4HKDM4E
SCHEMBL29914919 0.84 BACE1 (0.39) BACE1ALDH1A1TNFLTA4HKDM4E
SCHEMBL29964086 0.80 KDM4E (0.42) MEN1KMT2ACNR1KCNH2ALDH1A1

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