SCHEMBL16684707

SCHEMBL16684707

Cc1coc2ccc(C=NO)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 2/20 0.35
GAA P10253 2/20 0.34
KMT2A Q03164 4/20 0.33
ACHE P22303 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GFER P55789 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
SCHEMBL16684706 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL16693114 0.87 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL16693146 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL16684607 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL16684606 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL2883176 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTMAOB
SCHEMBL16686997 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL16686996 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL11440509 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTMAOB
SCHEMBL11440507 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTMAOB

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
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed