SCHEMBL16959331

SCHEMBL16959331

C[C](C)c1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.54
MAPT P10636 6/20 0.46
KMT2A Q03164 2/20 0.46
FBP1 P09467 1/20 0.44
RAB9A P51151 1/20 0.43
KAT2B Q92831 1/20 0.42
DTYMK P23919 1/20 0.41
MERTK Q12866 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 1/20 0.39
THRB P10828 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
SCHEMBL16958448 0.84 VCAM1 (0.49) VCAM1MAPTKMT2AFBP1RAB9A
SCHEMBL31431111 0.83 DTYMK (0.57) VCAM1MAPTKMT2AKAT2BDTYMK
SCHEMBL2772094 0.83 DTYMK (0.57) VCAM1MAPTKMT2AKAT2BDTYMK
SCHEMBL16954754 0.83 VCAM1 (0.48) VCAM1MAPTKMT2AFBP1RAB9A
SCHEMBL16959988 0.83 VCAM1 (0.48) VCAM1MAPTKMT2AFBP1RAB9A
SCHEMBL4477143 0.78 VCAM1 (0.70) VCAM1MAPTKMT2AKAT2BMERTK
SCHEMBL29559261 0.78 VCAM1 (0.55) VCAM1MAPTKMT2AFBP1RAB9A
SCHEMBL22897822 0.78 VCAM1 (0.55) VCAM1MAPTKMT2AFBP1RAB9A
SCHEMBL31432469 0.77 VCAM1 (0.59) VCAM1MAPTKMT2AKAT2BMERTK
SCHEMBL1142893 0.77 VCAM1 (0.59) VCAM1MAPTKMT2AKAT2BMERTK

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