SCHEMBL7140451

SCHEMBL7140451

O=C(O)OC1=Cc2cc(S(=O)(=O)NCc3ccco3)ccc2OC1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 5/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APEX1 P27695 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7146763 0.87 HPGD (0.46) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL214585 0.86 PTGS2 (0.50) MEN1KMT2APOLBMAPTUSP2
SCHEMBL6093632 0.86 PTGS2 (0.50) MEN1KMT2APOLBMAPTUSP2
SCHEMBL29527861 0.86 PTGS2 (0.50) MEN1KMT2APOLBMAPTUSP2
SCHEMBL7148773 0.81 AKR1C3 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7148454 0.81 PDK1 (0.45) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL7145053 0.81 PTGS2 (0.42) ALDH1A1LMNA
SCHEMBL7144308 0.80 PTGS2 (0.43)
SCHEMBL7140517 0.77 PTGS2 (0.46)
SCHEMBL7143166 0.77 PTGS2 (0.43)

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-0977748-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2003-03-26 EP claimed