SCHEMBL14626802

SCHEMBL14626802

O=S(=O)(/C=C/C(F)(F)F)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.49
NFE2L2 Q16236 9/20 0.47
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
RORC P51449 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TLR9 Q9NR96 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL571864 0.78 TLR9 (0.59) NFE2L2TSHRALDH1A1TLR9CA12
SCHEMBL571865 0.78 TLR9 (0.59) NFE2L2TSHRALDH1A1TLR9CA12
SCHEMBL2828908 0.78 TLR9 (0.59) NFE2L2TSHRALDH1A1TLR9CA12
SCHEMBL14626801 0.77 NAPRT (0.53) NAPRTNFE2L2KMT2AMEN1ALDH1A1
SCHEMBL13353659 0.77 NAPRT (0.62) NAPRTNFE2L2TSHRALDH1A1SLC40A1
SCHEMBL3510957 0.76 NAPRT (0.61) NAPRTNFE2L2KMT2AALDH1A1SLC40A1
SCHEMBL14626803 0.73 NAPRT (0.49) NAPRTNFE2L2KMT2ATSHRABCC9
SCHEMBL15955551 0.73 NAPRT (0.57) NAPRTNFE2L2KMT2ATSHRMEN1
SCHEMBL28302516 0.73 NAPRT (0.57) NAPRTNFE2L2KMT2AALDH1A1SLC40A1
SCHEMBL27605463 0.73 NAPRT (0.57) NAPRTNFE2L2KMT2AMEN1ALDH1A1

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
US-7163803-B2 Method for characterizing polypeptides ELECTROPHORETICS LIMITED (GB) 2007-01-16 US disclosed