SCHEMBL4661887

SCHEMBL4661887

O=S(=O)(C=Cc1cccc(Br)n1)NCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
PRMT1 Q99873 1/20 0.39
GAA P10253 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1934696 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDPRMT1GAA
SCHEMBL3707091 0.76 GAA (0.61) PRMT1GAATAAR1HSD17B10
SCHEMBL3707088 0.76 GAA (0.61) PRMT1GAATAAR1HSD17B10
SCHEMBL1934969 0.74 MMP1 (0.60) SMN1; SMN2ALDH1A1HPGDTAAR1
SCHEMBL1315051 0.72 STAT3 (0.48) ALDH1A1GAA
SCHEMBL1315044 0.72 STAT3 (0.48) ALDH1A1GAA
SCHEMBL1315046 0.72 STAT3 (0.48) ALDH1A1GAA
SCHEMBL13474828 0.72 STAT3 (0.48) ALDH1A1GAA
SCHEMBL1315048 0.72 STAT3 (0.48) ALDH1A1GAA
SCHEMBL14495263 0.71 NFE2L2 (0.39) ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007714-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS The Board of Regents of The University of Texas System (US) 2008-12-31 EP disclosed
WO-2007115269-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-10-11 WO disclosed