SCHEMBL16951012

SCHEMBL16951012

[CH2]c1cc([N+](=O)[O-])ccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
GALR3 O60755 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 6/20 0.46
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 3/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ACHE P22303 2/20 0.41
NR1H4 Q96RI1 2/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39

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
SCHEMBL11654599 0.82 SMN1; SMN2 (0.60) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL10176626 0.79 ALDH1A1 (0.62) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL446475 0.79 TDP1 (0.55) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL30279254 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL4641866 0.78 HSD17B10 (0.60) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL11997404 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL2031510 0.78 ALDH1A1 (0.52) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL395055 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL397097 0.78 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1MEN1GALR3
SCHEMBL395023 0.78 TSHR (0.59) SMN1; SMN2HTTL3MBTL1MEN1GALR3

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed