SCHEMBL28517529

SCHEMBL28517529

Fc1c(F)c2cccnc2c2ncccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.58
L3MBTL1 Q9Y468 5/20 0.58
NPC1 O15118 2/20 0.58
KDM4E B2RXH2 8/20 0.52
MPI P34949 1/20 0.52
CCR1 P32246 4/20 0.47
CCR8 P51685 4/20 0.47
LMNA P02545 6/20 0.46
MAPT P10636 5/20 0.46
HTT P42858 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
CCR5 P51681 2/20 0.46
HIF1A Q16665 2/20 0.46
GMNN O75496 1/20 0.46

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
SCHEMBL30717963 1.00 HSP90AA1 (0.58) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL29849953 0.80 HSP90AA1 (0.67) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL4009364 0.80 HSP90AA1 (0.67) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL10510901 0.80 SLC40A1 (0.51) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL26749762 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL4993117 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL30128213 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL17523388 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL18174540 0.78 HSP90AA1 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMPI
SCHEMBL5473648 0.77 HSP90AA1 (0.62) HSP90AA1L3MBTL1NPC1KDM4EMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678904-B Application of trace substance tracer 中国石油集团渤海钻探工程有限公司 2021-03-02 CN claimed
CN-117145460-A Tracer and preparation method and application thereof 大庆中联信实石油科技开发有限公司 2023-12-01 CN disclosed
CN-109678904-B Application of trace substance tracer 中国石油集团渤海钻探工程有限公司 2021-03-02 CN disclosed
CN-109678904-B Application of trace substance tracer 中国石油集团渤海钻探工程有限公司 2021-03-02 CN disclosed