SCHEMBL28023638

SCHEMBL28023638

CCC(Br)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.50
CCR5 P51681 1/20 0.41
HTR6 P50406 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 1/20 0.40
MMP13 P45452 4/20 0.40
MMP1 P03956 3/20 0.40
MMP7 P09237 3/20 0.40
MMP12 P39900 3/20 0.40
ACE P12821 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL28023657 0.84 SMN1; SMN2 (0.50) PSIP1CCR5HTR6SMN1; SMN2HSD11B1
SCHEMBL13276428 0.78 PSIP1 (0.54) PSIP1CCR5HTR6SMN1; SMN2HSD11B1
SCHEMBL2443658 0.78 PSIP1 (0.54) PSIP1CCR5HTR6SMN1; SMN2HSD11B1
SCHEMBL28357925 0.77 PSIP1 (0.44) PSIP1CCR5HTR6SMN1; SMN2HSD11B1
SCHEMBL2446838 0.77 PSIP1 (0.52) PSIP1CCR5HTR6SMN1; SMN2HSD11B1
SCHEMBL11208829 0.76 ALDH1A1 (0.42) HTR6SMN1; SMN2HSD11B1MMP13MMP1
SCHEMBL11119282 0.76 HTR6 (0.38) PSIP1HTR6SMN1; SMN2HSD11B1MMP13
SCHEMBL28023037 0.76 HTR6 (0.46) PSIP1HTR6SMN1; SMN2MMP13MMP1
SCHEMBL28895074 0.75 PSIP1 (0.50) PSIP1CCR5HTR6SMN1; SMN2HSD11B1
SCHEMBL1330816 0.75 PSIP1 (0.50) PSIP1CCR5HTR6SMN1; SMN2HSD11B1

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-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed