SCHEMBL9558172

SCHEMBL9558172

CN(C(=O)c1ccccc1I)N(OS(N)(=O)=O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA5A P35218 1/20 0.35
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTPRF P10586 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
STS P08842 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9557696 0.84 CA1 (0.33) CA1CA2CA9CA5A
SCHEMBL9714380 0.74 CA1 (0.38) CA1CA2CA9CA5A
SCHEMBL31135393 0.72 MEN1 (0.41) KMT2AMEN1TDP1PTPRFPTPN2
SCHEMBL10768616 0.70 MEN1 (0.40) KMT2AMEN1TDP1PTPRFPTPN2
SCHEMBL6361997 0.68 MEN1 (0.55) KMT2AMEN1TDP1PTPRFPTPN2
SCHEMBL9825527 0.67 POLB (0.48)
SCHEMBL11756196 0.65 P2RX4 (0.49) KMT2AMEN1TDP1PTPRFPTPN2
SCHEMBL28057728 0.63 MEN1 (0.44) CA1CA2CA9CA5AF2
SCHEMBL10013772 0.62 POLB (0.64) KMT2AMEN1TDP1
SCHEMBL8813905 0.62 ALDH1A1 (0.56) KMT2AMEN1TDP1PTPRFPTPN2

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
US-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed