SCHEMBL24746458

SCHEMBL24746458

CC1(c2ccc(N)nc2)CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
PIK3CA P42336 5/20 0.35
MTOR P42345 5/20 0.35
ALOX5AP P20292 1/20 0.34
CYP3A4 P08684 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23713770 0.75 NOS3 (0.41) NOS3NOS2PIK3CAMTORALOX5AP
SCHEMBL23485874 0.74
SCHEMBL3036428 0.73 ALDH1A1 (0.44) CYP3A4ALDH1A1L3MBTL1
SCHEMBL16679463 0.72 NOS3 (0.38) NOS3NOS2PIK3CAMTORALOX5AP
SCHEMBL2676833 0.72 NOS3 (0.45) NOS3NOS2PIK3CAMTORALOX5AP
SCHEMBL29739395 0.72 NOS3 (0.45) NOS3NOS2PIK3CAMTORALOX5AP
SCHEMBL24746460 0.72 NOS3 (0.35) NOS3NOS2PIK3CAMTOR
SCHEMBL11465523 0.71 HSD11B1 (0.39)
SCHEMBL1692246 0.69 SLC6A4 (0.41)
SCHEMBL23361675 0.69 NOS3 (0.38) NOS3NOS2PIK3CAMTORALOX5AP

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-117120090-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2023-11-24 CN disclosed
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed