SCHEMBL9101896

SCHEMBL9101896

CCC(N1c2ccccc2Oc2cc(Br)ccc21)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
P2RX4 Q99571 8/20 0.38
MAPT P10636 2/20 0.35
P2RX1 P51575 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ATM Q13315 1/20 0.35
PDE4B Q07343 2/20 0.35
PIM1 P11309 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
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
CUL4A Q13619 1/20 0.32

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
SCHEMBL9099173 0.93 AHR (0.39) AHRP2RX4MAPTP2RX1SMN1; SMN2
SCHEMBL9103609 0.86 P2RX4 (0.43) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9106573 0.85 PIM1 (0.46) P2RX4PIM1
SCHEMBL9103970 0.85 P2RX4 (0.38) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9103974 0.83 P2RX4 (0.36) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9103879 0.83 P2RX4 (0.38) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9106158 0.81 P2RX4 (0.43) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9102626 0.81 P2RX4 (0.39) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9102028 0.81 P2RX4 (0.38) P2RX4MAPTP2RX1SMN1; SMN2NPSR1
SCHEMBL9106652 0.81 P2RX4 (0.38) P2RX4MAPTP2RX1SMN1; SMN2PIM1

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