SCHEMBL3973751

SCHEMBL3973751

[N-]=[N+]=NN(CC(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
AKR1B1 P15121 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL1404285 0.77 ALDH1A1 (0.46) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL2916195 0.72 HPGD (0.37) ALDH1A1KMT2ARAB9ATSHRTDP1
SCHEMBL13252246 0.71 ALDH1A1 (0.44) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL3425238 0.71 ALDH1A1 (0.44) NPSR1ALDH1A1HTTKMT2ANPC1
Bromide SCHEMBL6570241 0.71 HPGD (0.36) ALDH1A1KMT2ARAB9ATSHRTDP1
SCHEMBL11346026 0.70 ALDH1A1 (0.53) ALDH1A1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL11346022 0.70 ALDH1A1 (0.53) ALDH1A1KMT2APOLBL3MBTL1SMN1; SMN2
SCHEMBL11794697 0.70 MEN1 (0.35) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL196635 0.69 KMT2A (0.49) NPSR1ALDH1A1HTTKMT2ANPC1
SCHEMBL22733801 0.68 ALDH1A1 (0.37) NPSR1ALDH1A1HTTKMT2ATDP1

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
WO-2009051910-A1 COMPOUNDS HAVING ACTIVITY IN INCREASING ION TRANSPORT BY MUTANT-CFTR AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-23 WO disclosed