SCHEMBL27799342

SCHEMBL27799342

NC(=O)N(CCC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPT P10636 6/20 0.47
TSHR P16473 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CRHBP P24387 1/20 0.44
ATM Q13315 1/20 0.44
CRHR2 Q13324 1/20 0.44
TLR9 Q9NR96 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GSTO1 P78417 1/20 0.43
PLAU P00749 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL692306 0.84 ALDH1A1 (0.48) MMP14ALDH1A1MAPTTSHRMEN1
SCHEMBL20180510 0.79 TP53 (0.49) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL27531317 0.78 CRHBP (0.50) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL942189 0.78 MMP14 (0.71) MMP14ALDH1A1MAPTTSHRHSP90AA1
SCHEMBL27470018 0.77 L3MBTL1 (0.54) ALDH1A1MAPTMEN1KMT2ACRHBP
SCHEMBL29668140 0.76 ALDH1A1 (0.53) ALDH1A1MAPTTSHRHSP90AA1MEN1
SCHEMBL8672140 0.76 MMP14 (0.57) MMP14ALDH1A1MAPTHSP90AA1MEN1
SCHEMBL7848658 0.76 CDC25C (0.55) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL7332917 0.74 MMP14 (0.55) MMP14ALDH1A1MAPTMEN1KMT2A
SCHEMBL9937319 0.74 NR1H4 (0.44) ALDH1A1MEN1KMT2ACYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115334899-A Methods and compositions for improving taste quality 阿尔门德拉私人有限公司 2022-11-11 CN disclosed
CN-103751943-B Fire extinguishing composition containing nitrogen-containing organic compound 湖北及安盾消防科技有限公司 2020-10-13 CN disclosed
CN-101939411-A Compositions methods and kits for enhancing immune response to a respiratory condition PROCTER & GAMBLE 2011-01-05 CN disclosed