SCHEMBL26105035

SCHEMBL26105035

CCOC(=O)c1cc(COC2CC2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CDK2 P24941 5/20 0.38
CCNE1 P24864 4/20 0.38
GSK3B P49841 3/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38
ATM Q13315 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL26105967 0.85 KDM4E (0.43) KDM4ESMYD3CDK2CCNE1GSK3B
SCHEMBL7703155 0.83 LMNA (0.47) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL26540428 0.81 CDK2 (0.39) SMYD3CDK2CCNE1GSK3BCDK1
SCHEMBL26964748 0.81 RAB9A (0.45) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL973113 0.81 LMNA (0.50) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL7699075 0.80 LMNA (0.49) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL5900613 0.79 LMNA (0.48) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL859 0.79 POLB (0.50) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL25348368 0.78 SMN1; SMN2 (0.45) FAAHLMNARAB9ANPC1SMN1; SMN2
SCHEMBL24914932 0.77 LMNA (0.43) FAAHLMNARAB9ANPC1SMN1; SMN2

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
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 WO disclosed
CN-116023367-A Tetrahydrofuran-containing polycyclic derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-04-28 CN disclosed