SCHEMBL27770553

SCHEMBL27770553

[CH2]c1ccc(S(=O)(=O)c2cccc(OC)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.54
PKM P14618 2/20 0.53
ABCC9 O60706 1/20 0.51
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
KCNJ8 Q15842 1/20 0.51
HTR6 P50406 3/20 0.48
NFE2L2 Q16236 5/20 0.47
KEAP1 Q14145 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PGR P06401 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL12325401 0.88 PKM (0.70) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL31352975 0.88 MTNR1B (0.56) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL3151230 0.88 MTNR1B (0.56) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL14282636 0.86 PGR (0.56) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL14282635 0.85 HTT (0.59) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL8865965 0.83 LMNA (0.56) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL27770545 0.82 PKM (0.79) PKMGAAALDH1A1POLB
SCHEMBL18164882 0.81 ABCC9 (0.55) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL8866738 0.80 KMT2A (0.58) MTNR1BPKMABCC9ABCC8KCNJ11
SCHEMBL2959233 0.78 PGR (0.72) PKMNFE2L2KEAP1FFAR4GAA

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-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed