SCHEMBL28299237

SCHEMBL28299237

CCCCCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 1/20 0.39
SOAT1 P35610 10/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 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
SCHEMBL28283219 0.85 KDM2B (0.36) ALDH1A1HTTHTR6
SCHEMBL3160926 0.83 HTR6 (0.50) HTR6
SCHEMBL28288620 0.82 TDP1 (0.38) ALDH1A1HTT
SCHEMBL28227937 0.82 KMT2A (0.36)
SCHEMBL28636317 0.79 LMNA (0.48) ALDH1A1
SCHEMBL23923247 0.77 TDP1 (0.40) PTGS2
SCHEMBL3160420 0.77 HTR6 (0.55) ALDH1A1HTR6
SCHEMBL23923246 0.77 TDP1 (0.40) PTGS2
SCHEMBL30457551 0.77 HTR6 (0.55) ALDH1A1HTR6
SCHEMBL28299239 0.75 MTNR1B (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