SCHEMBL28082085

SCHEMBL28082085

CCOC(=O)C(C)Oc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 10/20 0.45
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL28082086 1.00 MAPT (0.48) MAPTPOLBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL31576683 0.86 MAPT (0.56) MAPTPOLBSMN1; SMN2ALDH1A1RAB9A
SCHEMBL10779520 0.86 LMNA (0.48) MAPTL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10013411 0.86 LMNA (0.48) MAPTL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL10013412 0.86 LMNA (0.48) MAPTL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL28082102 0.84 L3MBTL1 (0.46) MAPTL3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL28082101 0.84 L3MBTL1 (0.46) MAPTL3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL28082113 0.84 L3MBTL1 (0.46) MAPTL3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL18128002 0.83 MAPT (0.52) MAPTPOLBL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10976558 0.80 L3MBTL1 (0.53) MAPTL3MBTL1SMN1; SMN2ALDH1A1RAB9A

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
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed