SCHEMBL16618692

SCHEMBL16618692

[CH2]C(OC(F)(F)F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.38
TDO2 P48775 5/20 0.38
DPP4 P27487 2/20 0.33
TSHR P16473 2/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC7A5 Q01650 2/20 0.32
ACP3 P15309 1/20 0.32

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
SCHEMBL2840417 0.77 IDO1 (0.38) IDO1TDO2DPP4ACP3
SCHEMBL20588883 0.77 RIPK1 (0.36) DPP4TSHRF2
SCHEMBL10654262 0.76 IDO1 (0.48) IDO1TDO2TSHR
SCHEMBL1307241 0.73 DPP4 (0.44) IDO1TDO2DPP4F2
SCHEMBL2061580 0.73 LMNA (0.38) IDO1TDO2TSHRACP3
SCHEMBL7636381 0.73 TSHR (0.44) IDO1TDO2DPP4TSHRF2
SCHEMBL7851156 0.73 TACR1 (0.39) IDO1TDO2
SCHEMBL5196720 0.73 IDO1 (0.38) IDO1TDO2DPP4TSHRF2
SCHEMBL518806 0.73 IDO1 (0.38) IDO1TDO2DPP4TSHRF2
SCHEMBL19305465 0.72 MIF (0.34) DPP4TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3051946-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP claimed
WO-2015049351-A1 USE OF SUBSTITUTED DIHYDRO-OXINDOLYL SULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AG (DE) 2015-04-09 WO claimed