SCHEMBL28001094

SCHEMBL28001094

CCCCC(CC)CNS(=O)(=O)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 1/20 0.38
CYP19A1 P11511 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 5/20 0.34
MAPT P10636 5/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 3/20 0.33
MAPK1 P28482 2/20 0.33
XBP1 P17861 2/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP1A2 P05177 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
SCHEMBL9320537 0.80 CYP19A1 (0.45) ALDH1A1NPSR1CYP19A1MEN1KMT2A
SCHEMBL10613925 0.77 ALDH1A1 (0.42) ALDH1A1NPSR1POLBMEN1KMT2A
SCHEMBL9322377 0.72 VCAM1 (0.50) ALDH1A1NPSR1POLBCYP19A1MEN1
SCHEMBL9320332 0.72 CA1 (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9320125 0.71 ALDH1A1 (0.45) ALDH1A1NPSR1CYP19A1MEN1KMT2A
SCHEMBL8892649 0.71 HTT (0.40) ALDH1A1POLBCYP19A1MEN1KMT2A
SCHEMBL9322268 0.71 VCAM1 (0.50) ALDH1A1NPSR1CYP19A1KMT2ALMNA
SCHEMBL9322104 0.71 VCAM1 (0.50) ALDH1A1NPSR1CYP19A1KMT2ALMNA
SCHEMBL10613932 0.71 ALDH1A1 (0.45) ALDH1A1NPSR1MEN1KMT2ALMNA
SCHEMBL28001092 0.70 ALDH1A1 (0.45) ALDH1A1NPSR1POLBKMT2ALMNA

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
CN-104345566-A Coloring composition, coloring immobilizing membrane and display element JSR CORP 2015-02-11 CN disclosed