SCHEMBL2529463

SCHEMBL2529463

CC(=O)OC(C)(C)C(=[N+]=[N-])S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
HSD11B1 P28845 2/20 0.36
BCAT1 P54687 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
PPARA Q07869 1/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 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
SCHEMBL2529863 0.87 ALDH1A1 (0.37) HTTLMNAALDH1A1MAPTKMT2A
SCHEMBL27459191 0.73 SMN1; SMN2 (0.39) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL1089508 0.72 HSD11B1 (0.41) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL23277176 0.70 SMN1; SMN2 (0.47) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL563505 0.69 HSD11B1 (0.47) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL3203604 0.68 HSD11B1 (0.39) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL7722416 0.68 MAPT (0.54) SMN1; SMN2LMNAALDH1A1MAPTHSD17B10
SCHEMBL4655000 0.67 ALDH1A1 (0.39) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL65095 0.66 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL13118694 0.66 ALDH1A1 (0.45) SMN1; SMN2HTTLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389204-B2 Method for producing comb-shaped electrode TOKYO OHKA KOGYO CO., LTD. (JP) 2013-03-05 US disclosed
US-20110256484-A1 METHOD FOR PRODUCING COMB-SHAPED ELECTRODE TOKYO METROPOLITAN UNIVERSITY (JP) 2011-10-20 US disclosed
US-6689535-B2 A NOVALAK RESIN CROSSLINKING AGENT HAVING HYDROXYALKYL AND/OR ALKOXYALKYL GROUPS AND AN ACIDIC COMPOUND; UNDERCOATINGS; A RECTANGULAR CROSS-SECTIONAL PROFILE WITHOUT CAUSING FOOTING, UNDERCUTTING, ETC. AT THE BOTTOM TOKYO OHKA KOGYO CO., LTD (JP) 2004-02-10 US disclosed
US-20020055064-A1 Anti-reflective coating composition, multilayer photoresist material using the same, and method for forming pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2002-05-09 US disclosed