SCHEMBL8761116

SCHEMBL8761116

Cc1nc(COSc2c(C)cccc2C)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MAPK1 P28482 4/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL8760152 0.85 MAPT (0.35) L3MBTL1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL13116695 0.68 NPC1 (0.51) L3MBTL1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL8761458 0.68 EGFR (0.42) L3MBTL1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL11345797 0.67 L3MBTL1 (0.37) L3MBTL1HDAC8MAPK1TDP1TSHR
SCHEMBL13141061 0.65 — —
SCHEMBL8760748 0.65 L3MBTL1 (0.46) L3MBTL1HDAC1HDAC8HDAC6MAPK1
SCHEMBL8760854 0.63 STAT3 (0.42) L3MBTL1HDAC1HDAC8HDAC6MAPK1
SCHEMBL4000246 0.62 SMN1; SMN2 (0.46) L3MBTL1HDAC1HDAC8HDAC6TDP1
SCHEMBL15474232 0.62 MAOB (0.43) L3MBTL1HDAC1HDAC8HDAC6MAPK1
SCHEMBL12284250 0.61 L3MBTL1 (0.35) L3MBTL1CYP3A4CYP2D6SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590415-B1 1,2,4-Oxadiazole derivatives for controlling endoparasites BAYER AG (DE) 1997-06-04 — — EP disclosed
US-5428047-A Nematocides BAYER AKTIENGESELLSCHAFT (DE) 1995-06-27 — — US disclosed
EP-0590415-A2 1,2,4-Oxadiazole derivatives for controlling endoparasites BAYER AG (DE) 1994-04-06 — — EP disclosed
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