SCHEMBL31065685

SCHEMBL31065685

COC(=O)C1CCCN(c2ncnc3ccc(Br)cc23)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
KCNH2 Q12809 1/20 0.55
HTT P42858 4/20 0.52
DYRK1A Q13627 2/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MTNR1B P49286 1/20 0.48
PDGFRB P09619 2/20 0.47
PRKDC P78527 2/20 0.46
ATR Q13535 2/20 0.46
ATRIP Q8WXE1 2/20 0.46
NAMPT P43490 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL31065687 0.92 PRKDC (0.53) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL29283864 0.89 ALDH1A1 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL29283867 0.89 ALDH1A1 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065678 0.88 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065670 0.88 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065674 0.88 MTNR1B (0.63) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065671 0.85 NPSR1 (0.53) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065691 0.84 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065672 0.83 PDE3A (0.61) PDGFRBPDE3A
SCHEMBL31065694 0.81 PRKDC (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2

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-118561810-A Medicament for preventing and treating tea tree fungal diseases and preparation method thereof 贵州大学 2024-08-30 CN claimed
CN-118561810-A Medicament for preventing and treating tea tree fungal diseases and preparation method thereof 贵州大学 2024-08-30 CN disclosed