SCHEMBL9101918

SCHEMBL9101918

CCc1cccc2c1N(C(CC)S(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.40
P2RX1 P51575 2/20 0.36
MAOA P21397 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PIM1 P11309 1/20 0.33
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32
THRB P10828 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RX3 P56373 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
SCHEMBL9102980 0.91 P2RX4 (0.39) P2RX4P2RX1MAOAMAPTSMN1; SMN2
SCHEMBL9105218 0.91 P2RX4 (0.33) P2RX4P2RX1MAOAHTT
SCHEMBL9104492 0.89 P2RX4 (0.37) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9103553 0.89 P2RX4 (0.39) P2RX4P2RX1MAOAMAPTSMN1; SMN2
SCHEMBL9104348 0.87 P2RX4 (0.40) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9107440 0.87 P2RX4 (0.36) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9102530 0.87 MAPT (0.32) P2RX4MAPTSMN1; SMN2
SCHEMBL9106091 0.86 P2RX4 (0.39) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9102626 0.86 P2RX4 (0.39) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9104679 0.84 TP53 (0.33) P2RX4P2RX1THRB

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