SCHEMBL29459602

SCHEMBL29459602

CCCCCc1c(CCCCC)c2cccnc2c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
NPC1 O15118 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CCR1 P32246 2/20 0.44
CCR8 P51685 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TLR8 Q9NR97 4/20 0.44
KCNH2 Q12809 1/20 0.44
KDM4E B2RXH2 2/20 0.42
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
PSMD14 O00487 1/20 0.41
COPS5 Q92905 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTT P42858 1/20 0.41
CCR5 P51681 1/20 0.40
PDPK1 O15530 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39

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
SCHEMBL28423616 1.00 L3MBTL1 (0.53) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL31026570 0.98 L3MBTL1 (0.52) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL31026586 0.98 L3MBTL1 (0.52) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL31026573 0.98 L3MBTL1 (0.52) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL1416783 0.98 L3MBTL1 (0.52) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL31026568 0.94 L3MBTL1 (0.55) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL20064289 0.78 HTT (0.50) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL7566187 0.78 L3MBTL1 (0.58) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL7996851 0.78 L3MBTL1 (0.58) L3MBTL1NPC1HSP90AA1CCR1CCR8
SCHEMBL31026594 0.76 CCR1 (0.51) L3MBTL1NPC1HSP90AA1CCR1CCR8

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-111384445-B Electrolyte composition and metal ion battery comprising same 财团法人工业技术研究院 2022-04-15 CN disclosed