SCHEMBL9105801

SCHEMBL9105801

CCC(N1c2ccccc2Oc2ccc(-c3ncccc3Cl)cc21)S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
RORB Q92753 1/20 0.33
PDK1 Q15118 4/20 0.33
PDK2 Q15119 4/20 0.33
PDK3 Q15120 4/20 0.33
PDK4 Q16654 4/20 0.33
TRPV4 Q9HBA0 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NTRK1 P04629 1/20 0.31
P2RX4 Q99571 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
BACE1 P56817 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
METAP2 P50579 1/20 0.30

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
SCHEMBL9102741 0.89 GRIA2 (0.38) PIM1PDK1PDK2PDK3PDK4
SCHEMBL9102286 0.89 CHRM1 (0.33) PIM1P2RX4
SCHEMBL9103559 0.89 P2RX4 (0.31) PIM1P2RX4
SCHEMBL9103943 0.87 CHRM1 (0.32) PIM1P2RX4
SCHEMBL9105077 0.85 APLNR (0.34) PIM1
SCHEMBL9100299 0.83 PDK1 (0.30) PDK1PDK2PDK3PDK4
SCHEMBL9104404 0.83 GRIA2 (0.38) PDK1PDK2PDK3PDK4TRPV1
SCHEMBL9102596 0.83 MEN1 (0.33) PIM1MEN1KMT2AP2RX4
SCHEMBL9099076 0.83 RORB (0.35) RORBPDK1PDK2PDK3PDK4
SCHEMBL9103821 0.81

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed