SCHEMBL4845688

SCHEMBL4845688

CC(C)(C)c1ccc(S(=O)(=O)NC2Cc3ccc(Br)cc3C2)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.38
KDM4E B2RXH2 1/20 0.36
WDR5 P61964 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
NR1H3 Q13133 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HDAC8 Q9BY41 2/20 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
SCHEMBL4838056 0.86 CA1 (0.45) NR1H2KDM4EKMT2A
SCHEMBL4794680 0.81 NR1H2 (0.46) NR1H2MAPK1HTTHDAC8
SCHEMBL4844918 0.81 NR1H2 (0.39) NR1H2KMT2ANR1H3
SCHEMBL4785715 0.79 TBXA2R (0.40) NR1H2
SCHEMBL4902040 0.79 NR1H2 (0.38) NR1H2KMT2ANR1H3
SCHEMBL4784555 0.79 CA1 (0.51) KDM4EKMT2AHDAC8
SCHEMBL4844757 0.79 TBXA2R (0.41) NR1H2NR1H3
SCHEMBL4900753 0.79 KDM4E (0.43) NR1H2KDM4EKMT2ANR1H3HTT
SCHEMBL4911955 0.79 KDM4E (0.43) NR1H2KDM4EKMT2ANR1H3HTT
SCHEMBL4782504 0.77 NR1H2 (0.55) 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