SCHEMBL16952985

SCHEMBL16952985

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GALR3 O60755 1/20 0.51
ALDH1A1 P00352 8/20 0.44
MAPT P10636 2/20 0.44
NR1H4 Q96RI1 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.41
GPR35 Q9HC97 2/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL394897 0.85 ALDH1A1 (0.58) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL16957180 0.84 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL16954828 0.83 L3MBTL1 (0.45) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL16955809 0.83 L3MBTL1 (0.45) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL394137 0.81 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL11654599 0.80 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL397097 0.79 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL16957014 0.77 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1HTTKMT2AALDH1A1
SCHEMBL446475 0.77 TDP1 (0.55) SMN1; SMN2L3MBTL1HTTMEN1KMT2A
SCHEMBL10176626 0.77 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1HTTMEN1KMT2A

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