SCHEMBL11204019

SCHEMBL11204019

CC(C)(C)c1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 4/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ACHE P22303 1/20 0.33
GPR35 Q9HC97 1/20 0.32
PTPRC P08575 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GALR3 O60755 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL973620 0.81 LMNA (0.34) ALDH1A1TDP1TSHRLMNAGPR35
SCHEMBL58486 0.79 TSHR (0.46) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL261451 0.74 TDP1 (0.45) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL207429 0.73 CA2 (0.38) ALDH1A1TDP1TSHR
SCHEMBL10967569 0.72 HTT (0.46) ALDH1A1TDP1TSHRLMNASMN1; SMN2
SCHEMBL7949511 0.72 GABRA1 (0.34) ALDH1A1TDP1LMNASMN1; SMN2GPR35
SCHEMBL29213578 0.71 CA2 (0.36)
SCHEMBL27844049 0.71 CA2 (0.36)
SCHEMBL3317507 0.69 ALDH1A1 (0.41) ALDH1A1TDP1TSHRLMNAACHE
SCHEMBL6310965 0.69 TSHR (0.38) ALDH1A1TDP1TSHRLMNASMN1; SMN2

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-0075117-A2 2H-1,2,4,6-thiatriazine-1,1-dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed