SCHEMBL7309728

SCHEMBL7309728

CC(O)c1cc(OC(CCC(N)=O)N2CCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TSHR P16473 3/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.35
PPARG P37231 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL7314882 0.87 NPC1 (0.41) MAPK1MAPTALDH1A1GAAMEN1
SCHEMBL7321025 0.85 ALDH1A1 (0.39) MAPK1MAPTALDH1A1GAAMEN1
SCHEMBL7309718 0.82 ALDH1A1 (0.38) MAPK1MAPTALDH1A1GAAMEN1
SCHEMBL7318308 0.81 NPC1 (0.39) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7314556 0.81 SMN1; SMN2 (0.40) MAPK1MAPTALDH1A1GAAMEN1
SCHEMBL7316028 0.79 NPC1 (0.42) MAPTALDH1A1GAAKMT2ALMNA
SCHEMBL7311157 0.77 ATM (0.41) MAPK1MAPTALDH1A1MEN1KMT2A
SCHEMBL7309722 0.74 SIRT3 (0.44) MAPK1MAPTALDH1A1GAAMEN1
SCHEMBL7312257 0.73 ALDH1A1 (0.37) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7316959 0.69 ALDH1A1 (0.35) MAPK1MAPTALDH1A1GAAMEN1

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
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed