SCHEMBL9099173

SCHEMBL9099173

CCC(N1c2ccccc2Oc2ccc(Br)cc21)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
P2RX4 Q99571 8/20 0.38
PIM1 P11309 1/20 0.37
P2RX1 P51575 1/20 0.35
PDE4B Q07343 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9101896 0.93 AHR (0.39) AHRP2RX4PIM1P2RX1PDE4B
SCHEMBL9106158 0.86 P2RX4 (0.43) P2RX4PIM1P2RX1PDE4BSLC1A3
SCHEMBL9102737 0.85 PIM1 (0.52) P2RX4PIM1MAPTALDH1A1
SCHEMBL9106652 0.85 P2RX4 (0.38) P2RX4PIM1P2RX1SLC1A3SLC1A2
SCHEMBL9107621 0.83 P2RX4 (0.36) P2RX4PIM1P2RX1SLC1A3SLC1A2
SCHEMBL9103879 0.83 P2RX4 (0.38) P2RX4PIM1P2RX1PDE4BMAPT
SCHEMBL9103609 0.81 P2RX4 (0.43) P2RX4PIM1P2RX1PDE4BMAPT
SCHEMBL9102626 0.81 P2RX4 (0.39) P2RX4PIM1P2RX1PDE4BRXFP1
SCHEMBL9103992 0.81 P2RX4 (0.38) P2RX4PIM1P2RX1SMN1; SMN2
SCHEMBL9106573 0.81 PIM1 (0.46) P2RX4PIM1

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