SCHEMBL27769162

SCHEMBL27769162

CCOC(=O)C(OCC)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 8/20 0.46
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.42
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL28768690 0.77 ALDH1A1 (0.47) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL12427995 0.76 L3MBTL1 (0.42) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL27673275 0.74 MAPT (0.47) L3MBTL1ALDH1A1TDP1SMN1; SMN2ATM
SCHEMBL4658127 0.74 ALDH1A1 (0.47) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL3131921 0.74 ALDH1A1 (0.44) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL27815461 0.73 CYP1A2 (0.55) L3MBTL1ALDH1A1RAB9ASMN1; SMN2TSHR
SCHEMBL1715464 0.73 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL3536336 0.73 ALDH1A1 (0.69) L3MBTL1ALDH1A1TDP1SMN1; SMN2TSHR
SCHEMBL11513597 0.73 CACNA1C (0.44) L3MBTL1ALDH1A1GAATDP1RAB9A
SCHEMBL27730047 0.73 L3MBTL1 (0.42) L3MBTL1ALDH1A1GAATDP1RAB9A

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-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN disclosed