SCHEMBL29958638

SCHEMBL29958638

Cc1c(C=O)oc2cccc(OCc3ccccc3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.64
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 4/20 0.51
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
PTGER1 P34995 1/20 0.43
BRD4 O60885 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL29502965 0.80 MAPT (0.53) EDNRAMAPTL3MBTL1MAPK1TDP1
SCHEMBL18702691 0.80 MAPT (0.53) EDNRAMAPTL3MBTL1MAPK1TDP1
SCHEMBL6869571 0.78 NMT2 (0.41) EDNRANMT2NMT1
SCHEMBL410058 0.74 MAPT (0.69) EDNRAMAPTL3MBTL1MAPK1TDP1
SCHEMBL724161 0.74 L3MBTL1 (0.65) L3MBTL1TDP1MAOBACHENPC1
SCHEMBL29958563 0.74 L3MBTL1 (0.65) L3MBTL1TDP1MAOBACHENPC1
SCHEMBL19612191 0.72 MAPT (1.00) EDNRAMAPTL3MBTL1MAPK1TDP1
SCHEMBL18702818 0.71 NPC1 (0.44) MAPTL3MBTL1TDP1MAOBACHE
SCHEMBL29502989 0.71 NPC1 (0.44) MAPTL3MBTL1TDP1MAOBACHE
SCHEMBL27252735 0.71 EDNRA (0.46) EDNRAMAPTL3MBTL1MAPK1TDP1

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-115151541-B Novel compounds and uses thereof 德彪药业国际股份公司 2024-06-25 CN disclosed
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN disclosed