SCHEMBL16955441

SCHEMBL16955441

C=[C]c1cccc(C#N)c1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
AR P10275 5/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PGR P06401 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6736896 0.89 POLB (0.47) POLBGAAIMPDH2IMPDH1TSHR
SCHEMBL7672587 0.80 GAA (0.41) POLBGAAIMPDH2IMPDH1TSHR
SCHEMBL18125262 0.80 GAA (0.41) POLBGAAIMPDH2IMPDH1TSHR
SCHEMBL16959666 0.80 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL16954482 0.79 GAA (0.35) GAATSHRMAPTARKDM4E
SCHEMBL10070159 0.78 TSHR (0.61) POLBGAAIMPDH2IMPDH1TSHR
SCHEMBL30934831 0.78 POLB (0.50) POLBGAAIMPDH2IMPDH1AR
SCHEMBL338999 0.78 POLB (0.50) POLBGAAIMPDH2IMPDH1AR
SCHEMBL16958921 0.78 TSHR (0.40) TSHRARKDM4EALDH1A1SMN1; SMN2
SCHEMBL6944651 0.78 SMN1; SMN2 (0.45) GAAMAPTKDM4EALDH1A1SMN1; 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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed