SCHEMBL9101909

SCHEMBL9101909

CCCS(=O)(=O)ON1c2ccccc2Oc2cc(Br)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
P2RX4 Q99571 8/20 0.35
P2RX1 P51575 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PDE4B Q07343 2/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9099192 0.93 AHR (0.39) AHRP2RX4P2RX1RXFP1PDE4B
SCHEMBL9104487 0.87 P2RX4 (0.41) P2RX4P2RX1MAPTLMNAKDM4E
SCHEMBL9104489 0.87 P2RX4 (0.43) P2RX4P2RX1KDM4EPOLB
SCHEMBL9103621 0.86 P2RX4 (0.43) P2RX4P2RX1MAPTALDH1A1LMNA
SCHEMBL9106581 0.85 PIM1 (0.39) P2RX4P2RX1MEN1KMT2A
SCHEMBL9103987 0.85 P2RX4 (0.35) P2RX4P2RX1MAPTALDH1A1LMNA
SCHEMBL9103982 0.84 P2RX4 (0.34) P2RX4P2RX1
SCHEMBL9102037 0.82 P2RX4 (0.36) P2RX4P2RX1SMN1; SMN2
SCHEMBL9102641 0.81 P2RX4 (0.36) P2RX4P2RX1RXFP1PDE4BMAPT
SCHEMBL9106168 0.81 P2RX4 (0.43) P2RX4P2RX1MAPTALDH1A1KDM4E

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