SCHEMBL9102980

SCHEMBL9102980

CCCc1cccc2c1N(C(CC)S(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 12/20 0.39
P2RX1 P51575 1/20 0.37
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIM1 P11309 1/20 0.32
MAOA P21397 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
SCHEMBL9104492 0.93 P2RX4 (0.37) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9102934 0.92 P2RX4 (0.33) P2RX4P2RX1
SCHEMBL9101918 0.91 P2RX4 (0.40) P2RX4P2RX1HDAC3HDAC6MAPT
SCHEMBL9101943 0.89 P2RX4 (0.36) P2RX4P2RX1HDAC3HDAC6PIM1
SCHEMBL9104702 0.88 METAP2 (0.31) P2RX4
SCHEMBL9102598 0.88 P2RX4 (0.34) P2RX4P2RX1HDAC3HDAC6MAPT
SCHEMBL9102664 0.85 MTNR1A (0.33) P2RX4P2RX1
SCHEMBL9106479 0.85 TP53 (0.32) P2RX4P2RX1HDAC3HDAC6
SCHEMBL9104348 0.84 P2RX4 (0.40) P2RX4P2RX1HDAC3HDAC6MAPT
SCHEMBL9102372 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268489-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2018-01-17 EP disclosed
US-9632034-B2 Fluorogenic and chromogenic substrate LI-COR, INC. (US) 2017-04-25 US disclosed
WO-2016149127-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-22 WO disclosed
US-20160266045-A1 FLUOROGENIC AND CHROMOGENIC SUBSTRATE LI-COR, INC. (US) 2016-09-15 US disclosed
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