SCHEMBL13690232

SCHEMBL13690232

CNc1ccc(NS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.67
PTPN1 P18031 1/20 0.63
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA2 P00918 9/20 0.61
CA1 P00915 7/20 0.54
CA12 O43570 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
KIF11 P52732 3/20 0.44

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
SCHEMBL17774980 0.83 PTPN11 (0.67) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL10623902 0.81 CA2 (0.66) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL7527132 0.81 PTPN1 (0.66) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL7525890 0.80 CA2 (0.68) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL7528321 0.80 PTPN11 (0.79) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL11121097 0.79 PTPN11 (0.72) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL4049597 0.79 CA2 (0.67) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL6881190 0.79 PTPN1 (0.63) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL7435640 0.79 PTPN1 (0.63) PTPN11PTPN1MAPK1SMN1; SMN2CA2
SCHEMBL3155581 0.79 PTPN1 (0.63) PTPN11PTPN1MAPK1SMN1; SMN2CA2

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
WO-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed