SCHEMBL27933192

SCHEMBL27933192

O=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.88
KMT2A Q03164 5/20 0.73
POLB P06746 5/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
TSHR P16473 1/20 0.54
GRK2 P25098 2/20 0.53
PAX8 Q06710 1/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.50

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
SCHEMBL27933084 0.94 HSD11B1 (1.00) HSD11B1KMT2APOLBCTDSP1TSHR
SCHEMBL27933117 0.88 HSD11B1 (1.00) HSD11B1KMT2APAX8RECQL
SCHEMBL28825174 0.84 KMT2A (1.00) HSD11B1KMT2APOLBTSHRGRK2
SCHEMBL29275318 0.84 HSD11B1 (0.78) HSD11B1KMT2ATSHRPAX8ALDH1A1
SCHEMBL28543793 0.83 RECQL (0.71) HSD11B1KMT2AALDH1A1MEN1RECQL
SCHEMBL947975 0.81 HSD11B1 (0.63) HSD11B1KMT2APOLBCTDSP1TSHR
SCHEMBL29275338 0.79 HSD11B1 (0.81) HSD11B1KMT2APAX8ALDH1A1KDM4E
SCHEMBL29275340 0.77 HSD11B1 (1.00) HSD11B1KMT2APOLBPAX8ALDH1A1
SCHEMBL29275367 0.77 HSD11B1 (1.00) HSD11B1KMT2APAX8
SCHEMBL27933035 0.77 HSD11B1 (0.63) HSD11B1KMT2AALDH1A1

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
CN-103509135-A Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2014-01-15 CN disclosed