SCHEMBL9018948

SCHEMBL9018948

CN(C)N(N=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 2/20 0.35
GLA P06280 2/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
CA1 P00915 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29369614 0.77 ALDH1A1 (0.43) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL8421110 0.76 ALDH1A1 (0.46) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL301282 0.75 ALDH1A1 (0.56) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL27451840 0.73 ALDH1A1 (0.48) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL23663782 0.70 NPSR1 (0.61) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL80329 0.69 ALDH1A1 (1.00) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL3916108 0.69 ALDH1A1 (1.00) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL1447155 0.69 ALDH1A1 (0.62) ALDH1A1ALOX15MEN1HTTKMT2A
Nitrous Acid SCHEMBL28078651 0.68 ALDH1A1 (0.55) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL11271014 0.67 ALDH1A1 (0.94) ALDH1A1ALOX15MEN1HTTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445926-B1 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-08-21 EP disclosed
US-5240464-A Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1993-08-31 US disclosed
EP-0445926-A2 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RESEARCH CORPORATION (US) 1991-09-11 EP disclosed