SCHEMBL7323435

SCHEMBL7323435

COCCOCOc1cccc(C(=O)OC)c1NS(=O)(=O)c1ccc(OC)cc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
ELANE P08246 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MTNR1B P49286 4/20 0.38
MTNR1A P48039 3/20 0.38
SGMS1 Q86VZ5 1/20 0.38
HSP90AA1 P07900 2/20 0.37
TNF P01375 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7321200 0.94 MEN1 (0.44) F2ELANEALDH1A1MEN1KMT2A
SCHEMBL7324219 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL7323187 0.88 MTNR1A (0.48) ALDH1A1MEN1KMT2AGAAMTNR1B
SCHEMBL7321536 0.85 MTNR1A (0.41) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL7317223 0.84 GAA (0.41) ELANEALDH1A1MEN1KMT2AGAA
SCHEMBL7321080 0.84 MAPT (0.45) MEN1KMT2AGAAPKMMTNR1B
SCHEMBL7317547 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL7324636 0.83 ACLY (0.40) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL7311595 0.83 LTA4H (0.42) ALDH1A1MEN1KMT2AGAAMTNR1B
SCHEMBL7321962 0.82 HSP90AA1 (0.47) ALDH1A1MEN1KMT2AGAAPKM

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed