SCHEMBL28013196

SCHEMBL28013196

COC(=O)N(c1ccncc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MITF O75030 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 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
SCHEMBL9264299 0.81 L3MBTL1 (0.56) L3MBTL1MAPTGAAALDH1A1POLB
SCHEMBL27571508 0.78 GAA (0.49) L3MBTL1MAPTGAAALDH1A1POLB
SCHEMBL3004700 0.78 GAA (0.49) L3MBTL1MAPTGAAALDH1A1POLB
SCHEMBL4496747 0.77 L3MBTL1 (0.54) L3MBTL1MAPTGAAALDH1A1POLB
SCHEMBL1854417 0.76 ALDH1A1 (0.61) L3MBTL1MAPTGAAALDH1A1POLB
SCHEMBL177662 0.76 MAPT (0.53) L3MBTL1MAPTALDH1A1POLBNPC1
SCHEMBL4517966 0.75 L3MBTL1 (0.51) L3MBTL1MAPTGAAALDH1A1POLB
SCHEMBL15567363 0.74 ALDH1A1 (0.75) L3MBTL1MAPTGAAALDH1A1NPC1
SCHEMBL9760955 0.72 MAPT (0.64) L3MBTL1MAPTALDH1A1POLBNPC1
SCHEMBL27877152 0.72 POLB (0.53) L3MBTL1MAPTALDH1A1POLBNPC1

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-104603132-A Sweet flavor modifier SENOMYX INC 2015-05-06 CN disclosed