SCHEMBL8009396

SCHEMBL8009396

CCOC(=O)C(Cc1c(F)cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 7/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.41
CES2 O00748 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 5/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.39
MMP8 P22894 1/20 0.39
FBP1 P09467 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3718145 0.95 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAAKMT2ACES2
SCHEMBL3718147 0.86 FBP1 (0.38) L3MBTL1ALDH1A1GAATSHRTDP1
SCHEMBL5737042 0.85 KMT2A (0.48) L3MBTL1ALDH1A1KMT2ATSHRTDP1
SCHEMBL27675955 0.82 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAATSHRTDP1
SCHEMBL13150211 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1GAAKMT2AMAPT
SCHEMBL5736978 0.79 KMT2A (0.50) L3MBTL1ALDH1A1GAAKMT2ATSHR
SCHEMBL3131921 0.79 ALDH1A1 (0.44) L3MBTL1ALDH1A1GAAKMT2ACES2
SCHEMBL5696593 0.77 MAPT (0.43) ALDH1A1GAAKMT2ACES2ACHE
SCHEMBL18698095 0.77 L3MBTL1 (0.44) L3MBTL1ALDH1A1GAAKMT2ATSHR
SCHEMBL1715464 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO disclosed