SCHEMBL7674183

SCHEMBL7674183

CCOC(=O)CCCOc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.65
PRNP P04156 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSPO P30536 3/20 0.54
TOP2A P11388 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 2/20 0.52
CYP1B1 Q16678 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
FAAH O00519 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.49

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
SCHEMBL7669775 0.96 PDE5A (0.64) PDE5APRNPL3MBTL1CYP1A2POLB
SCHEMBL7669358 0.86 PRNP (0.61) PDE5APRNPL3MBTL1CYP1A2POLB
SCHEMBL1085482 0.79 PDE5A (1.00) PDE5APOLBMEN1KMT2ATOP2A
SCHEMBL10677871 0.79 PRNP (0.65) PDE5APRNPL3MBTL1CYP1A2POLB
SCHEMBL7673162 0.79 MEN1 (0.83) PDE5AL3MBTL1CYP1A2POLBCYP2C19
SCHEMBL11184442 0.78 LTB4R (0.67) PDE5ATOP2A
SCHEMBL10674567 0.76 TSPO (0.70) PDE5APRNPL3MBTL1CYP1A2POLB
SCHEMBL29267820 0.76 GAA (0.48) PDE5APRNPL3MBTL1CYP1A2POLB
SCHEMBL7674176 0.75 PRNP (0.59) PDE5APRNPL3MBTL1CYP1A2POLB
SCHEMBL29267841 0.74 TACR3 (0.54) PDE5APRNPL3MBTL1CYP1A2CYP2C19

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
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed