SCHEMBL20310071

SCHEMBL20310071

CNCC(=O)c1ccc(O)c(N=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 6/20 0.40
ALPL P05186 5/20 0.40
HDAC6 Q9UBN7 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
XDH P47989 1/20 0.35
PLAA Q9Y263 3/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10040807 0.87 ALPL (0.33) ALPGALPLHPGDALDH1A1RAB9A
Adrenalone SCHEMBL123124 0.81 ALPG (0.55) ALPGALPLHDAC6CA1CA2
Adrenalone SCHEMBL29550997 0.81 ALPG (0.55) ALPGALPLHDAC6CA1CA2
Adrenalone SCHEMBL6662605 0.80 ALPG (0.54) ALPGALPLHDAC6CA1CA2
Adrenalone SCHEMBL28668200 0.78 ALPG (0.52) ALPGALPLHDAC6CA1CA2
SCHEMBL15942999 0.75 CA1 (0.53) HDAC6CA1CA2CA12CA7
SCHEMBL3278783 0.73 CA12 (0.59) HDAC6CA1CA2CA12CA7
SCHEMBL13885946 0.73 KDM4E (0.50) HDAC6CA1CA2CA12CA7
SCHEMBL10390729 0.73 POLB (0.49) ALPGALPLHDAC6ALDH1A1RAB9A
SCHEMBL29071120 0.71 HSD17B3 (0.55) ALPGCA1CA2CA12CA7

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-2951281-B1 SYSTEM AND METHOD FOR MIMICKING HEART FUNCTION UNIV CENTRAL FLORIDA RES FOUND INC (US) 2018-06-27 EP disclosed