SCHEMBL18174932

SCHEMBL18174932

CC(=O)C(C)(C)COc1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SSTR4 P31391 1/20 0.36
AR P10275 1/20 0.35
MAOB P27338 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
SCHEMBL13476058 0.90 ALDH1A1 (0.46) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL13476059 0.89 NPSR1 (0.46) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL618611 0.87 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL2416326 0.86 ALDH1A1 (0.45) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL2414346 0.85 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL2420100 0.84 ALDH1A1 (0.44) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL15972571 0.84 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL621268 0.83 KMT2A (0.43) ALDH1A1HTTKMT2ARAB9AMEN1
SCHEMBL621577 0.83 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1
SCHEMBL2419818 0.82 ALDH1A1 (0.43) ALDH1A1HTTKMT2ARAB9ANPC1

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
EP-3085699-A2 PROCESSES AND INTERMEDIATES FOR MAKING SWEET TASTE ENHANCERS Senomyx, Inc. (US) 2016-10-26 EP disclosed