SCHEMBL28299239

SCHEMBL28299239

CCCCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c1cccc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.41
MEP1B Q16820 1/20 0.40
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD11B1 P28845 1/20 0.38
S1PR4 O95977 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFE2L2 Q16236 3/20 0.37
KEAP1 Q14145 2/20 0.37
FFAR4 Q5NUL3 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
SCHEMBL3177826 0.84 MEP1B (0.46) MEP1BHSD11B1NFE2L2KEAP1FFAR4
SCHEMBL28300722 0.82 HCRTR2 (0.34) ALDH1A1NFE2L2
SCHEMBL28166172 0.82 FBP1 (0.39)
SCHEMBL23923246 0.80 TDP1 (0.40) EPHX2
SCHEMBL3177012 0.80 PGR (0.47) MEP1BHSD11B1NFE2L2KEAP1FFAR4
SCHEMBL23923247 0.80 TDP1 (0.40) EPHX2
SCHEMBL30457795 0.80 PGR (0.47) MEP1BHSD11B1NFE2L2KEAP1FFAR4
SCHEMBL2965787 0.77 TDP1 (0.41) ALDH1A1HSD11B1LMNATP53HPGD
SCHEMBL36315 0.75 ALDH1A1 (0.38) ALDH1A1HSD11B1LMNATP53MAPK1
SCHEMBL28299237 0.75 ALDH1A1 (0.41) ALDH1A1HTT

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-105190439-B Modified novolac type phenolic resin, erosion resistant, film and permanent film against corrosion DIC株式会社 2019-05-17 CN disclosed