SCHEMBL4902040

SCHEMBL4902040

CC(=O)OOc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(C(C)(C)C)cc1C(C)(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.38
NR1H3 Q13133 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL4844918 0.90 NR1H2 (0.39) NR1H2NR1H3MEN1KMT2AMTNR1A
SCHEMBL4782323 0.88 NR1H2 (0.47) NR1H2NR1H3MEN1KMT2A
SCHEMBL4838056 0.80 CA1 (0.45) NR1H2MEN1KMT2ACA1CA2
SCHEMBL4845688 0.79 NR1H2 (0.38) NR1H2NR1H3KMT2A
SCHEMBL4911955 0.77 KDM4E (0.43) NR1H2NR1H3MEN1KMT2A
SCHEMBL4900753 0.77 KDM4E (0.43) NR1H2NR1H3MEN1KMT2A
SCHEMBL4844757 0.77 TBXA2R (0.41) NR1H2NR1H3
SCHEMBL4782325 0.77 NR1H2 (0.48) NR1H2NR1H3MEN1KMT2A
SCHEMBL4784133 0.76 NR1H2 (0.40) NR1H2NR1H3MEN1KMT2A
SCHEMBL4785715 0.76 TBXA2R (0.40) NR1H2

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-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed