SCHEMBL29968313

SCHEMBL29968313

O=C(O)c1cccc(Cc2nc3c(-c4ccc(C5=CCCCC5)cc4)cccc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
CNR2 P34972 5/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRS3 P32247 3/20 0.37
ACMSD Q8TDX5 1/20 0.37
SERPINE1 P05121 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PDE5A O76074 1/20 0.37
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR6 P50406 2/20 0.35
PTGER1 P34995 1/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL28871252 0.91 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBCNR2BRS3
SCHEMBL29968248 0.91 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBCNR2BRS3
SCHEMBL29967526 0.80 CHRM1 (0.45) PIK3CDPIK3CAPIK3CBCNR2ACMSD
SCHEMBL29967696 0.79 FFAR4 (0.41) PIK3CDPIK3CAPIK3CBCNR2ACMSD
SCHEMBL29967862 0.78 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBCNR2ACMSD
SCHEMBL29968030 0.77 CNR2 (0.42) CNR2ACMSDSERPINE1
SCHEMBL29968177 0.77 PTGS2 (0.39) PIK3CDPIK3CAPIK3CBCNR2
SCHEMBL29967941 0.77 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBCNR2PDE5A
SCHEMBL29967779 0.75 PTGS2 (0.38) PIK3CDPIK3CAPIK3CBCNR2
SCHEMBL29967810 0.75 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBCNR2

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-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed