SCHEMBL13918274

SCHEMBL13918274

CC(C)Cn1cn[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ TLR7 Q9NYK1 3/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ HRH2 P25021 1/20 0.32
▸ ADRA1D P25100 1/20 0.32

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
SCHEMBL8718756 0.81 HTT (0.43) SMN1; SMN2TSHRHSD17B10NPC1RAB9A
SCHEMBL3520493 0.77 — —
SCHEMBL19552154 0.73 HTT (0.35) ADORA2AADORA2BLMNA
SCHEMBL12245678 0.68 — —
SCHEMBL22206420 0.63 PKM (0.44) SMN1; SMN2LMNA
SCHEMBL7133033 0.63 PKM (0.65) L3MBTL1LMNA
SCHEMBL9963196 0.63 ALDH1A1 (0.43) SMN1; SMN2TDP1TSHRHSD17B10L3MBTL1
SCHEMBL9299928 0.62 LMNA (0.60) SMN1; SMN2TSHRADORA2AADORA2BLMNA
SCHEMBL652922 0.62 MAPK1 (0.39) SMN1; SMN2POLBTLR7ADORA2ALMNA
SCHEMBL169145 0.62 KDM4E (0.41) SMN1; SMN2TSHRHSD17B10NPC1RAB9A

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-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
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