SCHEMBL9103974

SCHEMBL9103974

CCCc1ccc2c(c1)Oc1ccccc1N2C(CC)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.36
P2RX1 P51575 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
METAP2 P50579 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
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL9102028 0.93 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6METAP2
SCHEMBL9107621 0.93 P2RX4 (0.36) P2RX4P2RX1HDAC3HDAC6METAP2
SCHEMBL9101879 0.92 HTR2A (0.31) METAP2
SCHEMBL9103970 0.91 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6METAP2
SCHEMBL9104054 0.88 METAP2 (0.30) METAP2
SCHEMBL9103992 0.86 P2RX4 (0.38) P2RX4P2RX1HDAC3HDAC6METAP2
SCHEMBL9100247 0.85 METAP2 (0.33) METAP2SMN1; SMN2
SCHEMBL9102598 0.84 P2RX4 (0.34) P2RX4P2RX1HDAC3HDAC6MAPT
SCHEMBL9103609 0.84 P2RX4 (0.43) P2RX4P2RX1MAPTSMN1; SMN2NPSR1
SCHEMBL9101896 0.83 AHR (0.39) P2RX4P2RX1MAPTSMN1; SMN2NPSR1

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