SCHEMBL16693114

SCHEMBL16693114

Cc1coc2cc(C=NO)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 3/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 4/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 2/20 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 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1HTTPOLB
SCHEMBL16684707 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1HTTPOLB
SCHEMBL16693078 0.77 ALDH1A1 (0.39) ALDH1A1KDM4EHTTPOLBUSP2
SCHEMBL16684586 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBKMT2AUSP2
SCHEMBL1400551 0.71 KDM4E (0.57) ALDH1A1KDM4EHTTPOLBPKM
SCHEMBL5986723 0.70 MAPT (0.51) ALDH1A1KDM4EHTTGAAKMT2A
SCHEMBL1937076 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1HTTPOLB
SCHEMBL1937074 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1HTTPOLB
SCHEMBL2166114 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1HTTPOLB
SCHEMBL16684606 0.70 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1HTTPOLB

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