SCHEMBL28052089

SCHEMBL28052089

O=S(=O)(O)n1nnnc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
HSD11B1 P28845 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
P2RX7 Q99572 2/20 0.38
MGLL Q99685 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL18050870 0.82 PTGS2 (0.55) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL4666990 0.72 KMT2A (0.52) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL28017015 0.71 ALDH1A1 (0.44) PTGS2HSD11B1ALDH1A1SMN1; SMN2MGLL
SCHEMBL7795144 0.71 ALDH1A1 (0.50) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL5673134 0.70 MGLL (0.52) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL23113874 0.67 ALDH1A1 (0.50) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL5698916 0.67 ALDH1A1 (0.50) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL2327352 0.67 ALDH1A1 (0.50) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL822762 0.67 SMN1; SMN2 (0.55) PTGS2HSD11B1ALDH1A1TSHRPOLB
SCHEMBL5285566 0.67 ALDH1A1 (0.50) PTGS2HSD11B1ALDH1A1TSHRPOLB

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
CN-105418526-A Compound with mono-sulfophenyl tetrazole structure and application of compound with mono-sulfophenyl tetrazole structure HANGZHOU JIAMA BIOLOGICAL TECH CO LTD 2016-03-23 CN disclosed
CN-105418526-A Compound with mono-sulfophenyl tetrazole structure and application of compound with mono-sulfophenyl tetrazole structure HANGZHOU JIAMA BIOLOGICAL TECH CO LTD 2016-03-23 CN disclosed