SCHEMBL9103613

SCHEMBL9103613

Cc1ccc2c(c1)Oc1ccccc1N2CCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.46
SIGMAR1 Q99720 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 3/20 0.40
PIM1 P11309 2/20 0.40
MEN1 O00255 2/20 0.40
HRH4 Q9H3N8 1/20 0.38
MAPT P10636 5/20 0.38
MMP13 P45452 3/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALPG P10696 1/20 0.38
HPGD P15428 1/20 0.38
SMPD1 P17405 3/20 0.37
HDAC3 O15379 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL9106163 0.93 P2RX4 (0.46) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL9105798 0.91 POLB (0.36) P2RX4TDP1KMT2APIM1MEN1
SCHEMBL31243457 0.88 SIGMAR1 (0.46) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL182696 0.88 SIGMAR1 (0.46) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL9106500 0.87 SIGMAR1 (0.45) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL9105101 0.86 POLB (0.35) P2RX4TDP1KMT2AMEN1MAPT
SCHEMBL9103976 0.85 SIGMAR1 (0.42) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL9101900 0.85 AHR (0.40) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL9106576 0.85 PIM1 (0.50) P2RX4SIGMAR1TDP1KMT2APIM1
SCHEMBL9105464 0.84 P2RX4 (0.40) P2RX4SIGMAR1TDP1KMT2APIM1

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