SCHEMBL9852795

SCHEMBL9852795

COc1cnc(OC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 7/20 0.45
FBP1 P09467 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42
AXL P30530 1/20 0.41
SLC22A12 Q96S37 5/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
PIK3CA P42336 1/20 0.37
PTGER4 P35408 1/20 0.36
RAPGEF3 O95398 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL9852809 0.89 ALPL (0.47) ALPLFBP1SLC40A1AXLSLC22A12
SCHEMBL9618654 0.84 FBP1 (0.48) ALPLFBP1SLC40A1AXLSLC22A12
SCHEMBL30549039 0.81 ALPL (0.47) ALPLFBP1SLC40A1AXLSLC22A12
SCHEMBL7227108 0.80 FBP1 (0.49) ALPLFBP1SLC40A1AXLSLC22A12
SCHEMBL10686865 0.74 NR1H4 (0.44) ALPLFBP1SLC40A1SLC22A12MRGPRX1
SCHEMBL8438519 0.74 ALPL (0.43) ALPLFBP1SLC40A1AXLSLC22A12
SCHEMBL7227192 0.74 FBP1 (0.51) ALPLFBP1SLC40A1AXLSLC22A12
Benzene SCHEMBL10690567 0.73 KMT2A (0.46) ALPLSLC40A1SLC22A12MRGPRX1PTGER4
SCHEMBL25248899 0.73 ALPL (0.49) ALPLFBP1SLC40A1SLC22A12MRGPRX1
SCHEMBL10695682 0.72 MAPT (0.46) ALPLFBP1SLC40A1SLC22A12PTGER4

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-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 EP disclosed