SCHEMBL9465779

SCHEMBL9465779

O=S(=O)(Nc1ccc(I)cc1F)c1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ATM Q13315 1/20 0.58
GAA P10253 2/20 0.57
SLC40A1 Q9NP59 6/20 0.57
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 1/20 0.53
GLO1 Q04760 1/20 0.52
MMP2 P08253 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL15689758 0.82 PKLR (0.62) MEN1KMT2AATMGAASLC40A1
SCHEMBL15689701 0.80 ALDH1A1 (0.69) MEN1KMT2AATMGAASLC40A1
SCHEMBL29255666 0.80 SLC40A1 (0.72) MEN1KMT2AATMGAASLC40A1
SCHEMBL30854811 0.80 SLC40A1 (0.72) MEN1KMT2AATMGAASLC40A1
SCHEMBL9464640 0.80 ACLY (0.62) ALDH1A1TSHR
SCHEMBL30854809 0.79 SLC40A1 (0.76) MEN1KMT2AATMGAASLC40A1
SCHEMBL1507919 0.79 SLC40A1 (0.76) MEN1KMT2AATMGAASLC40A1
SCHEMBL22315265 0.78 ATM (0.74) MEN1KMT2AATMGAASLC40A1
SCHEMBL22234047 0.78 GAA (0.71) MEN1KMT2AATMGAASLC40A1
SCHEMBL29540765 0.78 GAA (0.71) MEN1KMT2AATMGAASLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5258399-A 5-lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5236948-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0495594-A1 Sulphonamide derivatives ZENECA LIMITED (GB) 1992-07-22 EP disclosed