SCHEMBL9103553

SCHEMBL9103553

CCc1cccc2c1Oc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.39
P2RX1 P51575 2/20 0.36
MAOA P21397 1/20 0.35
HTT P42858 1/20 0.34
PIM1 P11309 1/20 0.33
MGLL Q99685 1/20 0.31
THRB P10828 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
P2RX3 P56373 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9101943 0.92 P2RX4 (0.36) P2RX4P2RX1MAOAHTTPIM1
SCHEMBL9105218 0.90 P2RX4 (0.33) P2RX4P2RX1MAOAHTT
SCHEMBL9105156 0.90 P2RX4 (0.35) P2RX4P2RX1PIM1
SCHEMBL9101918 0.89 P2RX4 (0.40) P2RX4P2RX1MAOAHTTPIM1
SCHEMBL9100957 0.88 P2RX4 (0.39) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9103479 0.87 NPC1 (0.30) MAPTSMN1; SMN2
SCHEMBL9104773 0.86 AHR (0.41) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9103879 0.86 P2RX4 (0.38) P2RX4P2RX1PIM1HDAC3HDAC6
SCHEMBL9106487 0.86 P2RX4 (0.33) P2RX4P2RX1PIM1
SCHEMBL9102980 0.83 P2RX4 (0.39) P2RX4P2RX1MAOAPIM1HDAC3

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