SCHEMBL29239409

SCHEMBL29239409

CN(C)Cc1nc(OC(N)=O)ccc1C1=CCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
PSMB5 P28074 2/20 0.33
NLRP3 Q96P20 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
PKMYT1 Q99640 2/20 0.31
EZH2 Q15910 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
SCHEMBL28957815 0.83 GPBAR1 (0.35)
SCHEMBL29239391 0.81
SCHEMBL29239422 0.81 SCN9A (0.30)
SCHEMBL29150549 0.76 PARP1 (0.31)
SCHEMBL24993465 0.73 GSK3B (0.34) GRM2PSMB5HDAC3HDAC1HDAC2
SCHEMBL30865560 0.73 GSK3B (0.34) GRM2PSMB5HDAC3HDAC1HDAC2
SCHEMBL29239397 0.72 CNR2 (0.33)
SCHEMBL28876524 0.71 CNR2 (0.34)
SCHEMBL28876635 0.68 ACVR1 (0.38)
SCHEMBL28876734 0.67 CNR2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed